SCHEMBL8993482

SCHEMBL8993482

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

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.77
PTGS1 P23219 11/20 0.75

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
SCHEMBL8655413 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL215880 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6251471 0.79 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8993325 0.79 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7865484 0.79 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL16964585 0.79 MEP1B (0.54) PTGS2PTGS1
SCHEMBL6884959 0.78 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8653015 0.76 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL8389222 0.76 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8993384 0.76 PTGS2 (0.51) 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 claimed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO claimed