SCHEMBL8993369

SCHEMBL8993369

CCS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3F)CCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.60
PTGS1 P23219 7/20 0.54
PTGER1 P34995 1/20 0.43

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
SCHEMBL8652850 0.86 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7865484 0.86 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8653506 0.84 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8653038 0.80 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8993397 0.77 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8993325 0.77 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8993482 0.75 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8654191 0.75 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL213291 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8993420 0.74 PTGS2 (0.71) 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