SCHEMBL7150453

SCHEMBL7150453

CC(C)(C)c1ccc2c(c1)OC(C(F)(F)F)C(OC(=O)O)=C2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.41
PTGS1 P23219 9/20 0.41
P2RY6 Q15077 1/20 0.36

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
SCHEMBL7147352 0.90 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL7147957 0.90 PTGS2 (0.53) PTGS2PTGS1P2RY6
SCHEMBL7140520 0.90 PTGS2 (0.52) PTGS2PTGS1P2RY6
SCHEMBL7150416 0.85 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7143504 0.82 P2RY6 (0.42) PTGS2PTGS1P2RY6
SCHEMBL7144648 0.82 P2RY6 (0.54) PTGS2PTGS1P2RY6
SCHEMBL7141028 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7143301 0.81 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL214145 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6093423 0.81 PTGS2 (0.64) 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