SCHEMBL8658491

SCHEMBL8658491

NS(=O)(=O)c1ccccc1-c1cc2c(cc1-c1ccc(F)c(C(F)(F)F)c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.47
PTGS1 P23219 5/20 0.47
ALOX5AP P20292 6/20 0.41
FEN1 P39748 6/20 0.41
SLC22A12 Q96S37 1/20 0.39
F10 P00742 1/20 0.38
SCN9A Q15858 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FABP4 P15090 1/20 0.37
KIF11 P52732 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
SCHEMBL8659713 0.91 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8661719 0.88 PTGS2 (0.41) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8663553 0.87 PTGS2 (0.55) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8663462 0.87 ALOX5AP (0.46) PTGS2PTGS1ALOX5APFEN1SLC22A12
SCHEMBL8659133 0.86 FABP4 (0.45) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8662979 0.86 PTGS2 (0.41) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8660169 0.84 ALOX5AP (0.48) PTGS2PTGS1ALOX5APFEN1SLC22A12
SCHEMBL8657920 0.84 PTGS2 (0.44) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659269 0.84 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8659420 0.84 PTGS2 (0.55) PTGS2PTGS1ALOX5APFEN1F10

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