SCHEMBL7254993

SCHEMBL7254993

Cc1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2F)c(=O)o1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.69

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
SCHEMBL5708965 0.84 PTGS2 (0.65) PTGS2
SCHEMBL5709027 0.83 PTGS2 (0.64) PTGS2
SCHEMBL5708905 0.81 PTGS2 (1.00) PTGS2
SCHEMBL5708983 0.81 PTGS2 (0.67) PTGS2
SCHEMBL7259908 0.81 PTGS2 (0.46) PTGS2
SCHEMBL7259192 0.79 PTGS2 (0.53) PTGS2
SCHEMBL7254206 0.78 PTGS2 (0.64) PTGS2
SCHEMBL9206986 0.78 PTGS2 (0.73) PTGS2
SCHEMBL7259896 0.78 PTGS2 (0.48) PTGS2
SCHEMBL7259692 0.78 PTGS2 (0.67) PTGS2

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
WO-2003006451-A1 4-PHENYLPYRAN-2-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-23 WO disclosed