SCHEMBL7142828

SCHEMBL7142828

O=C(O)OC1=Cc2cccc(-c3ccccc3)c2OC1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.47
PTGS1 P23219 16/20 0.47
P2RY6 Q15077 2/20 0.36

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
SCHEMBL7147781 0.83 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7149312 0.82 P2RY6 (0.54) PTGS2PTGS1P2RY6
SCHEMBL6093644 0.81 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7143134 0.79 P2RY6 (0.50) PTGS2PTGS1P2RY6
SCHEMBL7149833 0.78 CA12 (0.38) PTGS2PTGS1
SCHEMBL7143875 0.77 PTGS2 (0.39) PTGS2PTGS1P2RY6
SCHEMBL7149365 0.76 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL7151246 0.76 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7142450 0.75 PTGS2 (0.40) PTGS2PTGS1P2RY6
SCHEMBL7146217 0.75 PTGS2 (0.44) PTGS2PTGS1P2RY6

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