SCHEMBL7143497

SCHEMBL7143497

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.51
PTGS1 P23219 9/20 0.42
P2RY6 Q15077 1/20 0.40

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
SCHEMBL7141036 0.90 PTGS2 (0.49) PTGS2PTGS1P2RY6
SCHEMBL7146351 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7147709 0.88 P2RY6 (0.54) PTGS2PTGS1P2RY6
SCHEMBL7150702 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7144943 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7150707 0.86 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL18060585 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7148451 0.80 P2RY6 (0.54) PTGS2PTGS1P2RY6
SCHEMBL7150705 0.80 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL29528023 0.79 PTGS2 (0.78) 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