SCHEMBL7142823

SCHEMBL7142823

COc1c(Cl)cc2c(c1Cl)OC(C(F)(F)F)C(OC(=O)O)=C2

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 15/20 0.53
PTGS2 P35354 18/20 0.50

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
SCHEMBL7145346 0.87 PTGS2 (0.66) PTGS1PTGS2
SCHEMBL7150705 0.86 PTGS2 (0.56) PTGS1PTGS2
SCHEMBL6094008 0.83 PTGS2 (0.73) PTGS1PTGS2
SCHEMBL6091748 0.83 PTGS2 (0.73) PTGS1PTGS2
SCHEMBL7148468 0.82 PTGS2 (0.71) PTGS1PTGS2
SCHEMBL7140509 0.80 PTGS2 (0.67) PTGS1PTGS2
SCHEMBL5498086 0.79 PTGS2 (0.66) PTGS1PTGS2
SCHEMBL7143272 0.79 PTGS2 (0.66) PTGS1PTGS2
SCHEMBL7149908 0.79 PTGS1 (0.47) PTGS1PTGS2
SCHEMBL7149813 0.78 PTGS2 (0.51) 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