SCHEMBL5769952

SCHEMBL5769952

CCOC(=O)C1=Cc2cc(C)cc(CCO)c2OC1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.52
PTGS1 P23219 15/20 0.52

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
SCHEMBL5647429 0.92 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5645571 0.92 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5645001 0.89 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5646254 0.89 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5648914 0.88 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5643591 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5646578 0.87 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL5169272 0.86 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5169263 0.86 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5767709 0.86 PTGS2 (0.70) 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