SCHEMBL7146746

SCHEMBL7146746

O=C(O)OC1=Cc2cc(F)cc(F)c2OC1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.53
PTGS2 P35354 17/20 0.39
PTGS1 P23219 14/20 0.39

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
SCHEMBL7147709 0.88 P2RY6 (0.54) P2RY6PTGS2PTGS1
SCHEMBL7147369 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7141036 0.87 PTGS2 (0.49) P2RY6PTGS2PTGS1
SCHEMBL7142807 0.81 P2RY6 (0.38) P2RY6PTGS2PTGS1
SCHEMBL6093219 0.79 PTGS2 (0.60) P2RY6PTGS2PTGS1
SCHEMBL6092268 0.79 PTGS2 (0.60) P2RY6PTGS2PTGS1
SCHEMBL7143497 0.78 PTGS2 (0.51) P2RY6PTGS2PTGS1
SCHEMBL7145346 0.77 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5498086 0.77 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7143272 0.77 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