SCHEMBL7140458

SCHEMBL7140458

CC(C)(C)c1cc2c(cc1Br)C=C(OC(=O)O)C(C(F)(F)F)O2

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.50
PTGS1 P23219 12/20 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
SCHEMBL7149407 0.86 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL7144674 0.86 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6091899 0.81 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6093892 0.81 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7150453 0.78 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL7150851 0.78 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7147957 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7148451 0.78 P2RY6 (0.54) PTGS2PTGS1
SCHEMBL7143504 0.78 P2RY6 (0.42) PTGS2PTGS1
SCHEMBL7147371 0.77 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