SCHEMBL8993500

SCHEMBL8993500

CSc1ccc(C2=C(c3cccc(S(C)(=O)=O)c3)CCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.74
PTGS1 P23219 3/20 0.49

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
SCHEMBL212242 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8870727 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8654013 0.77 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8871135 0.76 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8654783 0.75 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5698518 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6818292 0.73 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL10078922 0.71 HPGD (0.53) PTGS2
SCHEMBL6243674 0.71 KCNH2 (0.50) PTGS2
SCHEMBL8654725 0.70 PTGS2 (0.62) 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-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