SCHEMBL7259355

SCHEMBL7259355

Cc1cc(-c2ccc(S(C)(=O)=O)cc2)c(Oc2ccccn2)c(=O)o1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
PTGS1 P23219 5/20 0.45

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
SCHEMBL5708870 0.82 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7259192 0.79 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7254185 0.76 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7260058 0.75 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7255211 0.74 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7255500 0.74 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5708965 0.72 PTGS2 (0.65) PTGS2
SCHEMBL7026406 0.70 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5709000 0.69 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL5708984 0.68 PTGS2 (0.49) 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
WO-2003006451-A1 4-PHENYLPYRAN-2-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-23 WO claimed
WO-2003006451-A1 4-PHENYLPYRAN-2-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-23 WO disclosed