SCHEMBL8660155

SCHEMBL8660155

COc1cc(-c2cc3c(cc2-c2ccccc2S(N)(=O)=O)OCO3)cc(OC)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.40
PTGS1 P23219 5/20 0.40
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
F10 P00742 2/20 0.38
P2RX3 P56373 1/20 0.38
HSP90AA1 P07900 1/20 0.36
SCN9A Q15858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL8657255 0.90 CA9 (0.44) PTGS2PTGS1F10MAPT
SCHEMBL8656787 0.90 PTGS2 (0.39) PTGS2PTGS1GAAF10P2RX3
SCHEMBL8656219 0.89 PTGS2 (0.46) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8661261 0.89 PTGS1 (0.40) PTGS2PTGS1GAAF10P2RX3
SCHEMBL8661927 0.88 PTGS2 (0.36) PTGS2PTGS1GAAHSD17B10F10
SCHEMBL8660177 0.87 PTGS2 (0.47) PTGS2PTGS1F10P2RX3HSP90AA1
SCHEMBL8656138 0.87 PTGS2 (0.43) PTGS2PTGS1F10KDM4EALDH1A1
SCHEMBL8657315 0.86 PTGS2 (0.43) PTGS2PTGS1F10KDM4EALDH1A1
SCHEMBL8659763 0.86 PTGS2 (0.52) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8662796 0.85 POLB (0.41) PTGS2PTGS1GAAF10P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed