SCHEMBL8525764

SCHEMBL8525764

Cc1c(CCOc2cccc(Cl)c2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.84
PTGS1 P23219 2/20 0.66

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
SCHEMBL7215484 0.92 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3826907 0.83 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL7210642 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3823641 0.81 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL3831298 0.81 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL3824189 0.80 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL17453251 0.80 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL10092088 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8525767 0.80 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL3824466 0.79 PTGS2 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946507-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1999-10-06 EP disclosed
WO-1998025896-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-06-18 WO disclosed