SCHEMBL8974198

SCHEMBL8974198

COC(=O)C1(C(=O)OC)C=C(c2ccc(F)cc2)C(c2ccc(S(C)(=O)=O)cc2)=C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.61
PTGS1 P23219 7/20 0.61

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
SCHEMBL8974737 0.89 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8974101 0.87 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8974783 0.87 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8974300 0.86 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8975759 0.85 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8974837 0.84 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8974452 0.84 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8974258 0.82 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL9117985 0.81 KCNH2 (0.51) PTGS2PTGS1
SCHEMBL8974757 0.79 CA2 (0.41) 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
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed