SCHEMBL10707458

SCHEMBL10707458

C=CCOC(=O)C(CCCCCCCCCCCCC)(CC(=O)[O-])S(=O)(=O)O.[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 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 1/20 0.31
FABP3 P05413 2/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30

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
SCHEMBL1925048 1.00 TSHR (0.43) TSHRMEN1MAPTKMT2AATM
SCHEMBL15265820 0.99 TSHR (0.40) TSHR
Potassium Ion SCHEMBL10748165 0.98 TSHR (0.43) TSHRMEN1MAPTKMT2AATM
SCHEMBL4006588 0.88 TSHR (0.44) TSHRMEN1MAPTKMT2AATM
SCHEMBL2280206 0.88 TSHR (0.44) TSHRMEN1MAPTKMT2AATM
SCHEMBL28517091 0.86 MEN1 (0.43) TSHRMEN1MAPTKMT2AATM
SCHEMBL11420160 0.85 NAAA (0.35) TSHRMEN1MAPTKMT2AATM
SCHEMBL198244 0.85 NAAA (0.38) TSHRMEN1MAPTKMT2AATM
SCHEMBL11051162 0.85 NAAA (0.38) TSHRMEN1MAPTKMT2AATM
SCHEMBL18010665 0.85 NAAA (0.38) TSHRMEN1MAPTKMT2AATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0121398-B1 ANTISTATIC ACRYLIC RESIN COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-17 EP disclosed
US-4699964-A COPOLYMER OF METHYL METHACRYLATE, ALLYL SULFONATE, IN PRESENCE OF AN ALKYLENE OXIDE AND PHOSPHATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-13 US disclosed
US-4604414-A Antistatic acrylic resin composition and method for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-08-05 US disclosed
EP-0121398-A1 Antistatic acrylic resin composition and method for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-10-10 EP disclosed