SCHEMBL6749852

SCHEMBL6749852

Cc1ccc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.50
PTGS1 P23219 6/20 0.43
CASP1 P29466 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
SCHEMBL6746211 0.90 PTGS2 (0.50) PTGS2PTGS1CASP1
SCHEMBL6745050 0.89 PTGS2 (0.42) PTGS2PTGS1CASP1
SCHEMBL6746730 0.89 PTGS2 (0.38) PTGS2CASP1
SCHEMBL6743877 0.88 PTGS2 (0.47) PTGS2PTGS1CASP1
SCHEMBL6750004 0.86 PTGS2 (0.46) PTGS2PTGS1CASP1
SCHEMBL6747309 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6745090 0.84 PTGS2 (0.35) PTGS2PTGS1CASP1
SCHEMBL6743803 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6746439 0.83 CASP1 (0.39) PTGS2PTGS1CASP1
SCHEMBL6749827 0.82 KIF11 (0.43) 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-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed