SCHEMBL8974718

SCHEMBL8974718

COC(=O)C1C=C(c2ccc(C(F)(F)F)cc2)C(c2ccc(S(C)(=O)=O)cn2)=C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTGS1 P23219 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
STAT3 P40763 1/20 0.37
GAA P10253 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL8974486 0.94 PTGS2 (0.42) PTGS2PTGDR2PTGS1GPR119STAT3
SCHEMBL8974144 0.92 KIF11 (0.44) PTGS2PTGS1GAAKIF11
SCHEMBL8974124 0.88 PTGS2 (0.41) PTGS2PTGDR2PTGS1GPR119STAT3
SCHEMBL8974427 0.88 PTGDR2 (0.39) PTGS2PTGDR2PTGS1
SCHEMBL8974119 0.88 PTGS2 (0.49) PTGS2PTGDR2KIF11
SCHEMBL8973885 0.88 KIF11 (0.46) PTGS2PTGS1KIF11
SCHEMBL8974705 0.84 PTGS2 (0.41) PTGS2PTGS1GPR119
SCHEMBL8974815 0.83 PTGS2 (0.44) PTGS2PTGS1KIF11
SCHEMBL8974710 0.83 PTGS2 (0.44) PTGS2PTGS1STAT3KIF11
SCHEMBL8973839 0.82 PTGS2 (0.43) PTGS2PTGS1KIF11

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