SCHEMBL8478784

SCHEMBL8478784

COCc1onc(-c2ccc(OC)c(F)c2)c1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.49
PTGS1 P23219 8/20 0.49
F10 P00742 3/20 0.47
F2 P00734 2/20 0.47
CA4 P22748 1/20 0.44
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39

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
SCHEMBL8473865 0.91 PTGS2 (0.50) PTGS2PTGS1F10F2CA4
SCHEMBL8474257 0.91 PTGS2 (0.46) PTGS2PTGS1F10F2CA4
SCHEMBL8478354 0.90 PTGS2 (0.45) PTGS2PTGS1F10F2CA4
SCHEMBL8475051 0.89 PTGS2 (0.47) PTGS2PTGS1F10F2CA4
SCHEMBL8480053 0.89 PTGS2 (0.47) PTGS2PTGS1F10F2CA4
SCHEMBL8479535 0.88 PTGS2 (0.47) PTGS2PTGS1F10F2CA4
SCHEMBL8476514 0.87 PTGS2 (0.46) PTGS2PTGS1F10F2CA4
SCHEMBL6169839 0.87 PTGS2 (0.54) PTGS2PTGS1CA4CA2CA9
SCHEMBL8477502 0.86 PTGS2 (0.51) PTGS2PTGS1CA4CA2CA9
SCHEMBL8478643 0.86 PTGS2 (0.53) PTGS2PTGS1CA4CA2CA9

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