SCHEMBL1129346

SCHEMBL1129346

C=C(C)COc1ccc(S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.48

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
CA12 known ✓ O43570 2/20 0.40
CA1 known ✓ P00915 2/20 0.40
CA2 known ✓ P00918 2/20 0.40
GPR174 Q9BXC1 1/20 0.48
ALDH1A1 P00352 6/20 0.46
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
KAT6A Q92794 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
Potassium Ion SCHEMBL6710228 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL6712693 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL6714658 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL6710230 0.97 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL14704081 0.84 GPR174 (0.49) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL1128713 0.84 GPR174 (0.49) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL5400294 0.84 GPR174 (0.49) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL8371253 0.83 KAT6A (0.41) GPR174ALDH1A1NPSR1CHRNB2CHRNB4
Ammonia Solution, Strong SCHEMBL8370311 0.83 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2
SCHEMBL10468820 0.83 GPR174 (0.48) GPR174ALDH1A1GAANPSR1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113736013-A Temperature-resistant salt-resistant polyacrylamide with adjustable molecular weight and preparation method thereof 中国石油天然气股份有限公司 2021-12-03 CN claimed
US-7021380-B2 Compositions comprising set retarder compositions and associated methods HALLIBURTON ENERGY SERVICES, INC. (US) 2006-04-04 US claimed
WO-2006005904-A1 COMPOSITIONS COMPRISING SET RETARDER COMPOSITIONS AND ASSOCIATED METHODS HALLIBURTON ENERGY SERVICES, INC. (US) 2006-01-19 WO claimed
US-20040262001-A1 Compositions comprising set retarder compositions and associated methods HALLIBURTON ENERGY SERVICES, INC. 2004-12-30 US claimed
US-6268450-B1 ACRYLONITRILE AND VINYL MONOMER FOR YARN SOLUTIA INC. 2001-07-31 US claimed
WO-1999058586-A1 ACRYLIC FIBER POLYMER PRECURSOR AND FIBER SOLUTIA INC. (US) 1999-11-18 WO claimed
WO-2025087370-A1 SEPARATION MEMBRANE, PREPARATION METHOD FOR SEPARATION MEMBRANE, AND FILTERING DEVICE USING SEPARATION MEMBRANE 江苏关怀医疗科技(集团)有限公司 2025-05-01 WO disclosed
CN-117123061-B Separation membrane, preparation method of separation membrane and filtering device using separation membrane 江苏关怀医疗科技有限公司 2024-10-22 CN disclosed
CN-112996951-B Heat transfer fluids containing synergistic blends of corrosion inhibitor formulations 布拉斯通产品公司 2024-02-20 CN disclosed
CN-117123061-A Separation membrane, preparation method of separation membrane and filtering device using separation membrane 江苏关怀医疗科技有限公司 2023-11-28 CN disclosed
CN-113736013-B Temperature-resistant salt-resistant polyacrylamide with adjustable molecular weight and preparation method thereof 中国石油天然气股份有限公司 2023-02-10 CN disclosed
CN-115176051-A Method for producing fiber molded body, sound absorbing material, automobile interior material, and ultrafine fiber 三菱化学株式会社 2022-10-11 CN disclosed
CN-115135826-A Fiber molded body for sound absorbing/insulating material 三菱化学株式会社 2022-09-30 CN disclosed
EP-0376911-A2 Improved spinning pack for wet spinning bicomponent filaments MONSANTO COMPANY (US) 1990-07-04 EP disclosed
US-4915845-A Water soluble polymeric dispersant NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1990-04-10 US disclosed
US-4897144-A Foe silaceous material, metals, alloys, and epoxy reactive polymers HERCULES INCORPORATED (US) 1990-01-30 US disclosed
US-4892898-A PLASTICIZERS IN CEMENTIFERIOUS COMPOSITIONS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1990-01-09 US disclosed
EP-0308860-A2 A new epoxy-azide HERCULES INCORPORATED (US) 1989-03-29 EP disclosed
US-4772733-A BONDING AGENT FOR POLYMER AND OTHER MATERIALS HERCULES INCORPORATED (US) 1988-09-20 US disclosed
US-3932577-A WET SPINNING FROM SOLVENT CONTAINING WATER MONSANTO COMPANY (US) 1976-01-13 US disclosed