SCHEMBL6746288

SCHEMBL6746288

Cc1cc(C)cc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)c(F)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.35
PTGS2 P35354 2/20 0.34

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
SCHEMBL6746753 0.88 PTGS2 (0.45) CASP1PTGS2
SCHEMBL6745114 0.87 SDHB (0.38) CASP1PTGS2
SCHEMBL6746033 0.86 CYP11B1 (0.38) CASP1PTGS2
SCHEMBL6749937 0.85 PTGS2 (0.36) CASP1PTGS2
SCHEMBL6746730 0.83 PTGS2 (0.38) CASP1PTGS2
SCHEMBL6743712 0.83 PTGS2 (0.44) PTGS2
SCHEMBL6744935 0.83 PTGS2 (0.36) CASP1PTGS2
SCHEMBL6745120 0.83 ACLY (0.35) CASP1PTGS2
SCHEMBL6750091 0.83 CASP1 (0.35) CASP1PTGS2
SCHEMBL6749879 0.83 CASP1 (0.40) CASP1PTGS2

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