SCHEMBL8474257

SCHEMBL8474257

COc1ccc(-c2noc(COc3ccccc3)c2-c2ccccc2S(N)(=O)=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.46
PTGS1 P23219 7/20 0.46
CA4 P22748 1/20 0.42
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
P2RX3 P56373 1/20 0.37

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
SCHEMBL8478784 0.91 PTGS2 (0.49) PTGS2PTGS1CA4F2F10
SCHEMBL8478354 0.89 PTGS2 (0.45) PTGS2PTGS1CA4F2F10
SCHEMBL8473865 0.88 PTGS2 (0.50) PTGS2PTGS1CA4F2F10
SCHEMBL8480053 0.87 PTGS2 (0.47) PTGS2PTGS1CA4F2F10
SCHEMBL6168179 0.87 PTGS2 (0.53) PTGS2PTGS1CA4
SCHEMBL8475051 0.85 PTGS2 (0.47) PTGS2PTGS1CA4F2F10
SCHEMBL8479535 0.85 PTGS2 (0.47) PTGS2PTGS1CA4F2F10
SCHEMBL8476514 0.84 PTGS2 (0.46) PTGS2PTGS1CA4F2F10
SCHEMBL6169839 0.84 PTGS2 (0.54) PTGS2PTGS1CA4ALOX5APFEN1
SCHEMBL8477502 0.83 PTGS2 (0.51) PTGS2PTGS1CA4ALOX5APFEN1

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-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed