SCHEMBL8993397

SCHEMBL8993397

CCS(=O)(=O)c1ccc(C2=C(c3ccc(C)cc3C)CCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.57
PTGS1 P23219 5/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL8652669 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8655910 0.85 PTGS2 (0.59) PTGS2PTGS1CA1CA2
SCHEMBL8653038 0.78 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8993369 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8387384 0.76 PTGS2 (0.47) PTGS2
SCHEMBL8993420 0.75 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL7865484 0.75 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8993402 0.73 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8656040 0.73 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8654191 0.73 PTGS2 (0.68) 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