SCHEMBL5770246

SCHEMBL5770246

CCCN(CCC)c1cc2c(cc1Cl)C=C(C(=O)OCC)C(C(F)(F)F)O2

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.54
PTGS1 P23219 13/20 0.54

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
SCHEMBL5652024 0.92 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5648751 0.92 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5645446 0.87 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5646085 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5648776 0.83 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5645503 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5645339 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5647378 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5768348 0.82 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL5649187 0.82 PTGS2 (0.76) 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 4 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 disclosed
EP-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed