SCHEMBL6743331

SCHEMBL6743331

Cc1ccc(C2=C(c3cc(F)c(S(C)(=O)=O)cc3F)C=CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.49
PTGS1 P23219 6/20 0.43
SCN9A Q15858 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
SCHEMBL6741058 0.91 PTGS2 (0.49) PTGS2PTGS1SCN9A
SCHEMBL6735110 0.82 PTGS2 (0.49) PTGS2PTGS1SCN9A
SCHEMBL6734626 0.82 SCN9A (0.41) PTGS2PTGS1SCN9A
SCHEMBL6737139 0.81 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6733271 0.81 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6735005 0.79 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6735172 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6735812 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6732652 0.78 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6737306 0.78 PTGS2 (0.41) 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