SCHEMBL5767400

SCHEMBL5767400

CC(Cc1ccccc1)c1ccc(Oc2cc3c(cc2Cl)C=C(C(=O)O)C(C(F)(F)F)O3)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.56
PTGS1 P23219 13/20 0.55

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
SCHEMBL5767405 0.97 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5769310 0.89 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5769200 0.88 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5772230 0.87 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5768305 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6103480 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6107414 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5768070 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5644063 0.84 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5643966 0.84 PTGS2 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP claimed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO claimed