SCHEMBL2232098

SCHEMBL2232098

CCCCCCCCCCCCc1cccc(S(=O)(=O)[O-])c1CCCCCCCCCCCC.[Na+]

nearest known ligand 0.43

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 18)

geneUniProtsupporting neighboursconfidence
PPARG known ✓ P37231 1/20 0.42
CYSLTR1 known ✓ Q9Y271 1/20 0.40
KCNH2 Q12809 6/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
FUT7 Q11130 1/20 0.39
NR1I2 O75469 1/20 0.38

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
SCHEMBL18140494 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18140556 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18139166 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18141693 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18140341 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18139253 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL10556157 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18140770 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL285064 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1
SCHEMBL18141341 1.00 KCNH2 (0.43) KCNH2BIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111675790-B Freeze-thaw resistant polymer emulsion and preparation method thereof 山东凯威尔新材料有限公司 2022-08-02 CN claimed
CN-111607028-B Styrene-acrylic emulsion for salt-spray-resistant finish paint and preparation method and application thereof 山东凯威尔新材料有限公司 2022-04-29 CN claimed
CN-110205035-B Additive and application and use method thereof 上海至绒新能源科技有限公司 2020-11-24 CN claimed
CN-111675790-A Freeze-thaw resistant polymer emulsion and preparation method thereof 山东凯威尔新材料有限公司 2020-09-18 CN claimed
CN-111607028-A Styrene-acrylic emulsion for salt-spray-resistant finish paint and preparation method and application thereof 山东凯威尔新材料有限公司 2020-09-01 CN claimed
CN-111218088-A Hydrocarbon resin emulsion composition and application thereof 宜兴市华夏化工材料有限公司 2020-06-02 CN claimed
US-5872169-A FLAME RETARDANT QUALITY MAGNESIUM HYDROXIDE FLAMEMAG INTERNATIONAL GIE (FR) 1999-02-16 US claimed
EP-0794925-A4 MAGNESIUM PROCESS FLAMEMAG INTERNATIONAL GIE (FR) 1998-12-23 EP claimed
US-5843389-A Magnesium process FLAMEMAG INTERNATIONAL GIE (FR) 1998-12-01 US claimed
EP-0794925-A1 MAGNESIUM PROCESS FLAMEMAG INTERNATIONAL GIE (FR) 1997-09-17 EP claimed
EP-0740643-A4 MAGNESIUM PROCESS FLAMEMAG INTERNATIONAL GIE (FR) 1997-07-09 EP claimed
EP-0740643-A1 MAGNESIUM PROCESS FLAMEMAG INTERNATIONAL GIE (FR) 1996-11-06 EP claimed
WO-1996016902-A1 MAGNESIUM PROCESS FLAMEMAG INTERNATIONAL GIE (FR) 1996-06-06 WO claimed
WO-1995019935-A1 MAGNESIUM PROCESS FLAMEMAG INTERNATIONAL GIE (FR) 1995-07-27 WO claimed
EP-4223286-A2 SPRAY DRIED COMPOSITIONS HAVING DIFFERENT DISSOLUTION PROFILES AND PROCESSES FOR THEIR PREPARATION SpecGx LLC (US) 2023-08-09 EP disclosed
EP-3154528-B1 SPRAY DRIED COMPOSITIONS HAVING DIFFERENT DISSOLUTION PROFILES AND PROCESSES FOR THEIR PREPARATION SpecGx LLC (US) 2023-04-05 EP disclosed
US-11464741-B2 Spray dried compositions having different dissolution profiles and processes for their preparation SpecGx LLC (US) 2022-10-11 US disclosed
US-4145404-A MAGNESIUM HYDROXIDES HAVING NOVEL STRUCTURE, PROCESS FOR PRODUCTION THEREOF, AND RESIN COMPOSITIONS CONTAINING THEM KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-03-20 US disclosed
US-4098762-A FIRE RETARDANTS, PRECURSORS OF MAGNESIUM OXIDE KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) 1978-07-04 US disclosed
US-4085088-A HYDROTALCITE KYOWA CHEMICAL INDUSTRY CO., LTD. (JA) 1978-04-18 US disclosed