SCHEMBL8525767

SCHEMBL8525767

Cc1c(C(C)Oc2cccc(Cl)c2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.67
PTGS1 P23219 3/20 0.59

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 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8525764 0.80 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL5311830 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL4097790 0.76 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7212040 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL462723 0.74 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL15052403 0.74 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL15051904 0.74 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL4088205 0.73 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7215275 0.73 PTGS2 (1.00) 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