SCHEMBL5984005

SCHEMBL5984005

O=C(O)C1=Cc2cc(Br)c(F)cc2OC1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.64
PTGS1 P23219 8/20 0.64

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
SCHEMBL27531469 0.85 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5645304 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6104654 0.83 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6091899 0.83 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6093892 0.83 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5646181 0.81 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL5647192 0.79 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL213229 0.79 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6095182 0.79 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL27898889 0.79 PTGS2 (0.71) 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-1615905-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS Pharmacia Corporation (US) 2006-01-18 EP disclosed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed