SCHEMBL5795753

SCHEMBL5795753

CCCOc1ccc2c(c1)OC(C(F)(F)F)C(C(=O)O)=C2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.59
PTGS1 P23219 16/20 0.59

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
SCHEMBL5664779 0.93 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5644116 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5649241 0.88 NFKB1 (0.49) PTGS2PTGS1
SCHEMBL5645151 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5646027 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5643747 0.82 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6092668 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6092661 0.82 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5646288 0.82 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5643219 0.82 PTGS2 (0.66) 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-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed