SCHEMBL8055958

SCHEMBL8055958

COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.78
PTGS1 P23219 7/20 0.58
KIF11 P52732 1/20 0.58

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
SCHEMBL6724312 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6721564 0.86 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL806536 0.86 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8055955 0.86 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL21561303 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL21561261 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5715568 0.84 PTGS2 (0.69) PTGS2
SCHEMBL8655413 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8974230 0.84 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL9464193 0.82 CYP17A1 (0.61) PTGS2PTGS1

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
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP claimed