SCHEMBL7148468

SCHEMBL7148468

COc1cc(Cl)c2c(c1)C=C(OC(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.71
PTGS1 P23219 18/20 0.71

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
SCHEMBL7150869 0.87 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7140509 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7143272 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5498086 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7149813 0.84 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5172924 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214207 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7146351 0.83 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5169926 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7148175 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed