SCHEMBL6750004

SCHEMBL6750004

CS(=O)(=O)c1c(F)cc(C2=CCC=C2c2ccc(F)c(F)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.46
PTGS1 P23219 4/20 0.43
ARNT P27540 2/20 0.36
EPAS1 Q99814 2/20 0.36
KIF11 P52732 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL6747309 0.90 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6746439 0.88 CASP1 (0.39) PTGS2PTGS1KIF11CASP1
SCHEMBL6746730 0.88 PTGS2 (0.38) PTGS2KIF11CASP1
SCHEMBL6744935 0.88 PTGS2 (0.36) PTGS2PTGS1KIF11CASP1
SCHEMBL6743712 0.88 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6743877 0.87 PTGS2 (0.47) PTGS2PTGS1KIF11CASP1
SCHEMBL6746753 0.86 PTGS2 (0.45) PTGS2PTGS1KIF11CASP1
SCHEMBL6749852 0.86 PTGS2 (0.50) PTGS2PTGS1CASP1
SCHEMBL6747363 0.85 PTGS2 (0.33) PTGS2PTGS1KIF11CASP1
SCHEMBL6745050 0.85 PTGS2 (0.42) PTGS2PTGS1CASP1

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 disclosed