SCHEMBL7143301

SCHEMBL7143301

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.42
PTGS1 P23219 14/20 0.39

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
SCHEMBL7145917 0.84 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL7146725 0.81 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL7150453 0.81 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7143504 0.81 P2RY6 (0.42) PTGS2PTGS1
SCHEMBL216256 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7140520 0.81 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7144648 0.81 P2RY6 (0.54) PTGS2PTGS1
SCHEMBL6091941 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7141028 0.81 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7143134 0.78 P2RY6 (0.50) 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