SCHEMBL8974271

SCHEMBL8974271

CS(=O)(=O)c1ccc(C2=CC(CF)(CF)C=C2c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.42
PTGS1 P23219 5/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
LOXL2 Q9Y4K0 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
SCHEMBL8974588 0.93 PTGS2 (0.47) PTGS2PTGS1PTGDR2
SCHEMBL8974310 0.91 PTGS2 (0.42) PTGS2PTGS1PTGDR2ALOX5APFEN1
SCHEMBL8974368 0.90 PTGS2 (0.45) PTGS2PTGS1PTGDR2
SCHEMBL8974509 0.89 KIF11 (0.48) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8974179 0.88 PTGS2 (0.45) PTGS2PTGS1ALOX5APFEN1LOXL2
SCHEMBL9116083 0.87 PTGS2 (0.44) PTGS2PTGS1ALOX5APFEN1
SCHEMBL8974358 0.87 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL9117490 0.87 PTGS2 (0.54) PTGS2PTGS1PTGDR2
SCHEMBL8974189 0.86 PTGS2 (0.43) PTGS2PTGS1ALOX5APFEN1LOXL2
SCHEMBL9118495 0.85 PTGS2 (0.54) PTGS2PTGS1ALOX5APFEN1

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 3 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
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed