SCHEMBL6585919

SCHEMBL6585919

[CH2]c1cc(=O)c(Oc2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.77
PTGS1 P23219 5/20 0.63

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
SCHEMBL6583120 0.88 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL1376506 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5107053 0.84 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5094145 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5094239 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5094179 0.82 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6580323 0.81 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5101395 0.78 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL1376138 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6968301 0.77 PTGS2 (0.81) 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
EP-1263751-B1 2-PHENYLPYRAN-4-ONE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-06-16 EP claimed