SCHEMBL7147294

SCHEMBL7147294

O=C(O)OC1=Cc2cc(Cl)cc(C#Cc3ccc(Cl)cc3)c2OC1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.63
PTGS1 P23219 14/20 0.63
P2RY6 Q15077 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL7152086 0.94 PTGS2 (0.72) PTGS2PTGS1PTGDR2
SCHEMBL7143567 0.91 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7150439 0.91 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6093557 0.84 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL6092313 0.84 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL7144184 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7150419 0.84 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7151246 0.81 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5498086 0.80 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7143272 0.80 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