SCHEMBL8993411

SCHEMBL8993411

CCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC(CF)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.46
PTGS1 P23219 9/20 0.46
PNMT P11086 1/20 0.43
GAA P10253 1/20 0.38
PSIP1 O75475 1/20 0.37

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
SCHEMBL8655187 0.87 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8658108 0.84 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL12570643 0.79 PTGS2 (0.58) PTGS2PTGS1GAAPSIP1
SCHEMBL7865484 0.78 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8654932 0.78 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8652595 0.77 PTGS2 (0.47) PTGS2PTGS1
Fluoresone SCHEMBL24999 0.77 PSIP1 (0.58) PTGS2GAAPSIP1
SCHEMBL8652996 0.77 PTGS2 (0.59) PTGS2PTGS1GAA
SCHEMBL8654161 0.74 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL8655287 0.74 PTGS2 (0.47) 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