SCHEMBL8993402

SCHEMBL8993402

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

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.74
PTGS1 P23219 8/20 0.69
SLC6A3 Q01959 3/20 0.51
SLC6A2 P23975 2/20 0.48

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
SCHEMBL8993325 0.87 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8651364 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8993420 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5048802 0.82 AHR (0.52) PTGS2PTGS1
SCHEMBL8652581 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7865484 0.78 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6251471 0.76 PTGS2 (0.72) PTGS2PTGS1SLC6A3
SCHEMBL13601374 0.75 MAPK1 (0.48)
SCHEMBL8993482 0.74 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8655189 0.73 PTGS2 (0.78) 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