SCHEMBL3337736

SCHEMBL3337736

COC(=O)c1cc(S(=O)(=O)O)c(C(=O)[O-])cc1C.[Na+]

nearest known ligand 0.38

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 3/20 0.36
▸ CA1 known ✓ P00915 1/20 0.36
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CA5A P35218 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CDK1 P06493 1/20 0.35
▸ CYP2C9 P11712 5/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 1/20 0.34

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
SCHEMBL3339520 0.84 KDM4E (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL11760833 0.77 CDK1 (0.46) CA2CA1CA5ACA9KDM4E
SCHEMBL2430255 0.76 KDM4E (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1940639 0.74 ALDH1A1 (0.39) CA2CA1CA5ACA9KDM4E
SCHEMBL6749760 0.74 SLC9A1 (0.54) CA2CA1CA5ACA9KDM4E
SCHEMBL3338213 0.72 CA1 (0.43) CA2CA1CA9KDM4EHSD17B10
SCHEMBL8580625 0.72 SLC9A1 (0.45) CA2CA1CA5ACA9KDM4E
SCHEMBL3198146 0.72 KDM4E (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL3207481 0.72 MAPT (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8045262 0.72 SLC9A1 (0.42) CA2CA1CA5ACA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152408-A1 MANUFACTURING METHOD OF BIODEGRADABLE WATER-BASED POLYESTER RESIN JAYEONSARANG CO., LTD. (KP) 2010-06-17 — — US disclosed
EP-2102266-A1 MANUFACTURING METHOD OF BIODEGRADABLE WATER-BASED POLYESTER RESIN Jayeonsarang CO. LTD (KR) 2009-09-23 — — EP disclosed
WO-2008075924-A1 MANUFACTURING METHOD OF BIODEGRADABLE WATER-BASED POLYESTER RESIN JAYEONSARANG CO. LTD (KR) 2008-06-26 — — WO disclosed
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