SCHEMBL6744855

SCHEMBL6744855

CS(=O)(=O)c1cc(F)c(C2=CCC=C2c2ccc(F)c(F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.41
PTGS1 P23219 3/20 0.39
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
ARNT P27540 1/20 0.33
EPAS1 Q99814 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
SCHEMBL6743648 0.90 PTGS2 (0.40) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6746854 0.90 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6747140 0.89 PTGS2 (0.36) PTGS2ALOX5APFEN1
SCHEMBL6744141 0.88 PTGS2 (0.40) PTGS2
SCHEMBL6746727 0.88 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6746028 0.87 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6743170 0.86 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6747149 0.86 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6746733 0.86 PTGS2 (0.34) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6746755 0.86 SCN9A (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed