SCHEMBL987616

SCHEMBL987616

O=C([O-])c1ccccc1S(=O)(=O)O.[Na+]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 4/20 0.41
CA4 known ✓ P22748 1/20 0.41
CA1 known ✓ P00915 3/20 0.40
CA12 known ✓ O43570 1/20 0.35
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
CA9 Q16790 3/20 0.39
MYC P01106 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA5A P35218 1/20 0.38
DDX3X O00571 2/20 0.38
PKLR P30613 1/20 0.38
TTR P02766 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5016601 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDCA2CA4
Methane SCHEMBL1304330 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL28948671 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDCA2CA4
Potassium Ion SCHEMBL8444351 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL10780305 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL2526741 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL2522970 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
Lithium Ion SCHEMBL2524033 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
SCHEMBL11437015 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4
Lithium Ion SCHEMBL814018 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCA2CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 149 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521560-B Composite material for sealing resistant to low temperature of-40-15 ℃, preparation method and sensor 国网黑龙江省电力有限公司电力科学研究院 2023-11-03 CN claimed
EP-1193781-B1 Electrochemical cell TOSHIBA KK (JP) 2006-02-01 EP claimed
US-6790563-B2 NEGATIVE ELECTRODE OF ALUMINUM OR ALUMINUM ALLOY, AND AN ELECTROLYTE OF SULFATE ION AND NITRATE ION AND AN ADDITIVE OF ORGANIC ACID, SALTS, HYDRATES, ESTERS, IONS, AND DERIVATIVES THEREOF BETWEEN POSITIVE AND NEGATIVE ELECTRODES KABUSHIKI KAISHA TOSHIBA (JP) 2004-09-14 US claimed
US-20020068222-A1 Negative electrode of aluminum or aluminum alloy, and an electrolyte of sulfate ion and nitrate ion and an additive of organic acid, salts, hydrates, esters, ions, and derivatives thereof between positive and negative electrodes KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-06 US claimed
EP-1193781-A2 Electrochemical cell Kabushiki Kaisha Toshiba (JP) 2002-04-03 EP claimed
US-5192691-A Method for sensing individual ion concentrations within mixtures using sample front ion exchange elution and indirect photometric detection THE DOW CHEMICAL COMPANY (US) 1993-03-09 US claimed
JP-62045622-A None JP disclosed
CN-120035601-A Gene transfer method, gene therapy method and tissue regeneration method CPC株式会社 2025-05-23 CN disclosed
CN-113235202-B Multifunctional fabric and preparation method and application thereof 华中科技大学 2023-03-21 CN disclosed
CN-115386299-A Gallium arsenide substrate polishing solution and application thereof 威科赛乐微电子股份有限公司 2022-11-25 CN disclosed
CN-106029890-B Plants with enhanced tolerance to herbicides 巴斯夫农业公司 2022-04-12 CN disclosed
CN-215843612-U Buffer type sodium o-sulfonate benzaldehyde centrifugal dehydration device 江苏晋光化工科技有限公司 2022-02-18 CN disclosed
CN-215638390-U Efficient sodium o-sulfonate benzaldehyde powder apparatus for producing 江苏晋光化工科技有限公司 2022-01-25 CN disclosed
US-5013777-A Benzosulfonic acids as end groups of engineering thermoplastic resins; fireproofing; oxidation and UV resistances; photostabilizers ATOCHEM NORTH AMERICA, INC. (US) 1991-05-07 US disclosed
US-4976879-A Laundering using a copolyester of 1,2-propylene glycol, ethylene glycol and terephthalic acid endcapped with a salt of a sulfobenzoic acid THE PROCTER & GAMBLE COMPANY (US) 1990-12-11 US disclosed
US-4968575-A TERMINAL HYDROXYL GROUPS BLOCKED WITH ROSIN OR DERIVATIVE THEREOF NIPPON GOHSEI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-11-06 US disclosed
US-4877896-A Sulfoaroyl end-capped ester of oligomers suitable as soil-release agents in detergent compositions and fabric-conditioner articles THE PROCTER & GAMBLE COMPANY (US) 1989-10-31 US disclosed
EP-0332761-A2 Single-functional and mixtures of multifunctional oligomeric performance additive compositions, and their use ELF ATOCHEM NORTH AMERICA, INC. (US) 1989-09-20 EP disclosed
EP-0311342-A2 Sulfoaroyl end-capped ester oligomers suitable as soil-release agents in detergent compositions and fabric-conditioner articles THE PROCTER & GAMBLE COMPANY (US) 1989-04-12 EP disclosed
JP-S6245622-A POLYESTER RESIN FOR TONER MITSUBISHI RAYON CO LTD 1987-02-27 JP disclosed