SCHEMBL8419967

SCHEMBL8419967

COc1cc(F)cc(-c2cc(-c3ccccc3S(N)(=O)=O)c(CO)c(OC)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
PTGS2 P35354 1/20 0.38
SQOR Q9Y6N5 4/20 0.37
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
SCN9A Q15858 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
P2RX3 P56373 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
SCHEMBL8421041 0.88 F10 (0.38) F10SQORSCN9APTGES2P2RX3
SCHEMBL8419446 0.86 ALOX5AP (0.40) F10PTGS2SQORALOX5APFEN1
SCHEMBL8419971 0.85 PTGS2 (0.48) PTGS2SQOR
SCHEMBL8419780 0.77 DHODH (0.41) F10PTGS2SQORPTGES2
SCHEMBL8421107 0.76 PTGS2 (0.47) F10PTGS2SQORALOX5APFEN1
SCHEMBL8419782 0.73 PTGS2 (0.47) F10PTGS2ALOX5APFEN1
SCHEMBL8421043 0.73 CA2 (0.43) PTGS2
SCHEMBL8419905 0.71 PTGS2 (0.40) F10PTGS2ALOX5APFEN1
SCHEMBL8419449 0.70 PTGS2 (0.48) PTGS2
SCHEMBL8092684 0.70 PTGS2 (0.49) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed