SCHEMBL5767709

SCHEMBL5767709

Cc1cc2c(c(CCO)c1)OC(C(F)(F)F)C(C(=O)O)=C2

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.70
PTGS1 P23219 12/20 0.70

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
SCHEMBL5648773 0.91 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5644491 0.90 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL16902790 0.90 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5649410 0.88 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL5769952 0.86 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5650357 0.85 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5644565 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL19107466 0.84 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5644926 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5646526 0.83 PTGS2 (0.65) 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 6 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 claimed
WO-2004087686-A2 BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS PHARMACIA CORPORATION (US) 2004-10-14 WO claimed
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