SCHEMBL7147930

SCHEMBL7147930

O=C(O)OC1=Cc2cc(OC(F)(F)F)ccc2O[C@@H]1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.70
PTGS1 P23219 14/20 0.70

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
SCHEMBL7150875 1.00 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7148188 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7151252 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7149773 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7148413 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7148172 0.83 PTGS2 (0.52) PTGS2PTGS1
Ocarocoxib SCHEMBL5708929 0.82 PTGS2 (1.00) PTGS2PTGS1
Ocarocoxib SCHEMBL215834 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7148451 0.82 P2RY6 (0.54) PTGS2PTGS1
SCHEMBL7146315 0.82 PTGS2 (0.66) 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