SCHEMBL3338213

SCHEMBL3338213

CCOC(=O)c1cc(S(=O)(=O)O)c(C(=O)[O-])cc1CC.[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 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 known ✓ P00915 5/20 0.43
▸ CA2 known ✓ P00918 5/20 0.43
▸ CA12 known ✓ O43570 4/20 0.41
▸ CA9 Q16790 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ CA7 P43166 3/20 0.37
▸ CA14 Q9ULX7 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 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
SCHEMBL6684905 0.75 LMNA (0.44) CA1CA2CA12CA9KDM4E
SCHEMBL3337736 0.72 PDGFRB (0.38) CA1CA2CA9KDM4ETSHR
SCHEMBL4627602 0.71 TSHR (0.59) CA1CA2CA12CA9KDM4E
SCHEMBL11168879 0.71 CA1 (0.53) CA1CA2CA12CA9KDM4E
SCHEMBL4605954 0.70 CA1 (0.51) CA1CA2CA12CA9KDM4E
SCHEMBL4605204 0.70 CA1 (0.51) CA1CA2CA12CA9KDM4E
SCHEMBL4603350 0.70 CA1 (0.51) CA1CA2CA12CA9KDM4E
Cesium SCHEMBL4606972 0.70 CA1 (0.51) CA1CA2CA12CA9KDM4E
SCHEMBL3011464 0.69 CA1 (0.46) CA1CA2CA12CA9KDM4E
SCHEMBL6525942 0.68 TSHR (0.67) CA1CA2CA9KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004078826-A1 BIODEGRADABLE ALPHATIC POLYESTER IONOMERIC RESIN AND ITS PREPARING METHOD HANYANG HAKWON CO., LTD. (KR) 2004-09-16 — — WO claimed
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
WO-2004078826-A1 BIODEGRADABLE ALPHATIC POLYESTER IONOMERIC RESIN AND ITS PREPARING METHOD HANYANG HAKWON CO., LTD. (KR) 2004-09-16 — — WO disclosed
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