SCHEMBL570809

SCHEMBL570809

C=C(C)COc1ccccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.44

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
PDE4A known ✓ P27815 1/20 0.34
PDE4B known ✓ Q07343 1/20 0.34
PDE4C known ✓ Q08493 1/20 0.34
PDE4D known ✓ Q08499 1/20 0.34
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
POLB P06746 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GPR174 Q9BXC1 1/20 0.38
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL6712920 0.97 ALDH1A1 (0.39) ALDH1A1HTTPOLBSMN1; SMN2GPR174
Potassium Ion SCHEMBL6714454 0.97 ALDH1A1 (0.39) ALDH1A1HTTPOLBSMN1; SMN2GPR174
SCHEMBL6716847 0.87 ALDH1A1 (0.40) ALDH1A1HTTPOLBSMN1; SMN2GPR174
SCHEMBL29377861 0.84 GPR174 (0.40) ALDH1A1HTTPOLBSMN1; SMN2GPR174
SCHEMBL28076 0.84 GPR174 (0.40) ALDH1A1HTTPOLBSMN1; SMN2GPR174
Ammonia Solution, Strong SCHEMBL6716826 0.83 GPR174 (0.39) ALDH1A1HTTPOLBSMN1; SMN2GPR174
SCHEMBL570808 0.83 GPR174 (0.39) ALDH1A1HTTPOLBSMN1; SMN2GPR174
SCHEMBL570810 0.83 GPR174 (0.39) ALDH1A1HTTPOLBSMN1; SMN2GPR174
SCHEMBL6710041 0.81 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2HSD17B10KMT2A
SCHEMBL6710980 0.78 ALDH1A1 (0.36) ALDH1A1HTTPOLBSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012017453-A1 HIGH LUSTER ACRYLIC FIBER AND PROCESS FOR MANUFACTURING THE SAME ADITYA BIRLA SCIENCE AND TECHNOLOGY CO.LTD. (IN) 2012-02-09 WO claimed
EP-1317576-B1 ANTIMICROBIAL POLYMERS UNIV CALIFORNIA (US) 2006-04-19 EP claimed
EP-1317576-A2 STATEMENT AS TO RIGHTS TO INVENTIONS MADE UNDER FEDERALLY SPONSORED RESEARCH AND DEVELOPMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-06-11 EP claimed
WO-2002022923-A2 STATEMENT AS TO RIGHTS TO INVENTIONS MADE UNDER FEDERALLY SPONSORED RESEARCH AND DEVELOPMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-03-21 WO claimed
EP-0041833-B1 ACRYLIC FIBER HAVING IMPROVED BASIC DYEABILITY AND PROCESS THEREFOR MONSANTO COMPANY (US) 1983-06-29 EP claimed
EP-0041833-A1 Acrylic fiber having improved basic dyeability and process therefor MONSANTO COMPANY (US) 1981-12-16 EP claimed
US-4293613-A POLYSTYRENE, BLENDS MONSANTO COMPANY (US) 1981-10-06 US claimed
US-4265970-A Acrylic fiber having improved dyeability MONSANTO COMPANY (US) 1981-05-05 US claimed
US-4163089-A TERPOLYMERIZATION WITH UNSATURATED SULFONIC AICDS MONSANTO COMPANY (US) 1979-07-31 US claimed
US-20210189604-A1 POLY(ACRYLONITRILE-CO-METHYL ACRYLATE) COMPOSITIONS INCLUDING A HINDERED AMINE LIGHT STABILIZER AND METHODS OF MAKING AND USING THE SAME GLEN RAVEN, INC. 2021-06-24 US disclosed
WO-2021127388-A1 POLY(ACRYLONITRILE-CO-METHYL ACRYLATE) COMPOSITIONS INCLUDING A HINDERED AMINE LIGHT STABILIZER AND METHODS OF MAKING AND USING THE SAME GLEN RAVEN, INC. (US) 2021-06-24 WO disclosed
WO-2014132266-A2 ACRYLONITRILE POLYMER COMPOSITE USING MODIFIED STARCH AND A METHOD OF PREPARATION THEREOF ADITYA BIRLA SCIENCE AND TECHNOLOGY COMPANY LIMITED (IN) 2014-09-04 WO disclosed
WO-2013164845-A1 A SOLVENT SYSTEM FOR DISSOLUTION OF PULP AND POLYMER ADITYA BIRLA SCIENCE AND TECHNOLOGY COMPANY LTD. (IN) 2013-11-07 WO disclosed
EP-2162488-B1 ACRYLIC FIBER WITH MODIFIED PROPERTY AND A PROCESS FOR MAKING THEREFOR ADITYA BIRLA SCI & TECH CO LTD (IN) 2012-09-05 EP disclosed
EP-0041833-B1 ACRYLIC FIBER HAVING IMPROVED BASIC DYEABILITY AND PROCESS THEREFOR MONSANTO COMPANY (US) 1983-06-29 EP disclosed
EP-0041833-A1 Acrylic fiber having improved basic dyeability and process therefor MONSANTO COMPANY (US) 1981-12-16 EP disclosed
US-4294884-A Acrylic fiber having improved basic dyeability and method for making the same MONSANTO COMPANY (US) 1981-10-13 US disclosed
US-4293613-A POLYSTYRENE, BLENDS MONSANTO COMPANY (US) 1981-10-06 US disclosed
US-4265970-A Acrylic fiber having improved dyeability MONSANTO COMPANY (US) 1981-05-05 US disclosed
US-4163089-A TERPOLYMERIZATION WITH UNSATURATED SULFONIC AICDS MONSANTO COMPANY (US) 1979-07-31 US disclosed