SCHEMBL7149908

SCHEMBL7149908

O=C(O)OC1=Cc2ccc(Cl)c(Cl)c2OC1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 17/20 0.47
PTGS2 P35354 17/20 0.47
P2RY6 Q15077 1/20 0.37

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
SCHEMBL7149312 0.84 P2RY6 (0.54) PTGS1PTGS2P2RY6
SCHEMBL7145346 0.84 PTGS2 (0.66) PTGS1PTGS2
SCHEMBL7146248 0.83 PTGS2 (0.65) PTGS1PTGS2P2RY6
SCHEMBL7150705 0.81 PTGS2 (0.56) PTGS1PTGS2
SCHEMBL7146266 0.81 PTGS2 (0.67) PTGS1PTGS2P2RY6
SCHEMBL6093876 0.80 PTGS2 (0.71) PTGS1PTGS2
SCHEMBL6094975 0.80 PTGS2 (0.71) PTGS1PTGS2
SCHEMBL7142823 0.79 PTGS1 (0.53) PTGS1PTGS2
SCHEMBL7148749 0.79 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL5498086 0.79 PTGS2 (0.66) PTGS1PTGS2

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