SCHEMBL3341066

SCHEMBL3341066

COC(=O)c1ccc(S(=O)(=O)[O-])c(C(=O)OC)c1.[Na+]

nearest known ligand 0.51

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 4/20 0.46
CA12 known ✓ O43570 2/20 0.46
CA1 known ✓ P00915 2/20 0.46
XDH known ✓ P47989 1/20 0.46
KDM4E B2RXH2 7/20 0.51
HSD17B10 Q99714 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
VCAM1 P19320 1/20 0.51
ALDH1A1 P00352 7/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
GLA P06280 1/20 0.50
ATM Q13315 1/20 0.50
PKM P14618 1/20 0.47
CDK1 P06493 1/20 0.47
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46

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
SCHEMBL1868221 0.87 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL31385379 0.84 CA12 (0.59) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL31385380 0.84 CA12 (0.59) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL4605912 0.84 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL4606537 0.84 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
Potassium Ion SCHEMBL1863797 0.84 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL4604662 0.84 KDM4E (0.55) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL5994468 0.84 KDM4E (0.46) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL21027865 0.83 VCAM1 (0.61) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1
SCHEMBL27397618 0.83 KDM4E (0.54) KDM4EHSD17B10SMN1; SMN2VCAM1ALDH1A1

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