SCHEMBL7150869

SCHEMBL7150869

COc1cc2c(c(OC)c1)OC(C(F)(F)F)C(OC(=O)O)=C2

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 16/20 0.60

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
SCHEMBL7150707 0.87 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7148468 0.87 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6093177 0.82 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL5648610 0.82 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL7142823 0.76 PTGS1 (0.53) PTGS2PTGS1
SCHEMBL7146016 0.76 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7144591 0.76 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL7151252 0.75 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5645059 0.75 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7144943 0.75 PTGS2 (0.51) 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