SCHEMBL27628451

SCHEMBL27628451

NCc1cccc(-c2c(Cl)ccc3c2C=C(C(=O)O)C(C(F)(F)F)O3)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.74
PTGS1 P23219 17/20 0.74

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
SCHEMBL27628356 0.90 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL5645637 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5644729 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5645450 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5644103 0.78 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5645266 0.77 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL27648317 0.77 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5645791 0.75 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5647705 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5708937 0.75 PTGS2 (1.00) 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
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
CN-1768050-A Benzopyran compounds for the treatment of inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed