SCHEMBL6747149

SCHEMBL6747149

Cc1ccc(C2=CCC=C2c2cc(F)c(S(C)(=O)=O)cc2F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.52
PTGS1 P23219 4/20 0.45
SCN9A Q15858 2/20 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
SCHEMBL6743703 0.91 PTGS2 (0.52) PTGS2PTGS1SCN9A
SCHEMBL6746755 0.90 SCN9A (0.44) PTGS2PTGS1SCN9A
SCHEMBL6743648 0.89 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6746028 0.89 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6746854 0.86 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6744855 0.86 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6750053 0.86 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6745443 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6744141 0.85 PTGS2 (0.40) PTGS2
SCHEMBL6745224 0.84 NR1H2 (0.40) PTGS2SCN9A

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