SCHEMBL8993514

SCHEMBL8993514

CS(=O)(=O)c1ccc(C2=CCCC2)c(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
GRM2 Q14416 1/20 0.34
PNMT P11086 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL8993599 0.86 PTGS2 (0.49) PTGS2PNMT
SCHEMBL8993518 0.81 PTGS2 (0.44) PTGS2
SCHEMBL4432809 0.78 LMNA (0.50) PTGS2GRM2
SCHEMBL8993451 0.76 PTGS2 (0.39) PTGS2
SCHEMBL6239385 0.76 PTGS2 (0.60) PTGS2
SCHEMBL6239381 0.76 PTGS2 (0.60) PTGS2
SCHEMBL17202468 0.75 PTGS2 (0.46) PTGS2
SCHEMBL23361312 0.74 PTGS2 (0.58) PTGS2PNMT
SCHEMBL29826462 0.74 PTGS2 (0.58) PTGS2PNMT
SCHEMBL8993449 0.74 PTGS2 (0.45) PTGS2GRM2PTGDR2

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