SCHEMBL8993504

SCHEMBL8993504

Cc1csc(-c2cc(S(C)(=O)=O)ccc2C2=CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.48
PSMB5 P28074 1/20 0.32
GHSR Q92847 1/20 0.31
PNMT P11086 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL6239385 0.74 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6239381 0.72 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8993518 0.72 PTGS2 (0.44) PTGS2PSMB5PTGS1
SCHEMBL8993514 0.71 PTGS2 (0.52) PTGS2PNMT
SCHEMBL4432809 0.71 LMNA (0.50) PTGS2
SCHEMBL8993599 0.71 PTGS2 (0.49) PTGS2PNMTPTGS1
SCHEMBL23361312 0.70 PTGS2 (0.58) PTGS2PSMB5PNMT
SCHEMBL29826462 0.70 PTGS2 (0.58) PTGS2PSMB5PNMT
SCHEMBL212244 0.69 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL17202468 0.68 PTGS2 (0.46) PTGS2

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-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed