SCHEMBL5769725

SCHEMBL5769725

Fc1ccccc1C#Cc1cc(Cl)cc2c1OC(C(F)(F)F)C([Na])=C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.54
PTGS1 P23219 15/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL5646421 0.82 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL27648784 0.81 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL5645912 0.81 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5794421 0.78 PTGS2 (0.45) PTGS2PTGS1PTGDR2
SCHEMBL5647926 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5769728 0.77 PTGS2 (0.44) PTGS2PTGS1PTGDR2
SCHEMBL5770151 0.72 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6093841 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6092243 0.70 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5768066 0.69 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