SCHEMBL8993358

SCHEMBL8993358

CCS(=O)(=O)c1ccc(C2=C(c3cnc(OC)c(C)c3)CCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.44
PTGS1 P23219 6/20 0.44
ESR1 P03372 1/20 0.38

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
SCHEMBL8653342 0.88 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8652488 0.87 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8993384 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6251471 0.76 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8652454 0.76 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8652776 0.75 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8651733 0.75 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8652939 0.75 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8653226 0.74 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8652347 0.74 PTGS2 (0.67) 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