SCHEMBL8993325

SCHEMBL8993325

CCS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(Cl)c3)CCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.76
PTGS1 P23219 11/20 0.71

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
SCHEMBL8993402 0.87 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8655051 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8993420 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL213507 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5071876 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7865484 0.81 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8993482 0.79 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL585199 0.77 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8993369 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8871135 0.77 PTGS2 (0.78) 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