SCHEMBL5193853

SCHEMBL5193853

COc1ccccc1-c1ccc(C(=O)NC(C(=O)O)C2CCCCC2)c(NC(=O)Nc2c(C)cc(C)cc2C)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PYGL P06737 20/20 0.71
CYP2C9 P11712 7/20 0.69

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
SCHEMBL5192561 1.00 PYGL (0.71) PYGLCYP2C9
SCHEMBL5194081 0.90 PYGL (0.71) PYGLCYP2C9
SCHEMBL5195364 0.89 PYGL (0.77) PYGLCYP2C9
SCHEMBL5245756 0.89 PYGL (0.77) PYGLCYP2C9
SCHEMBL5193125 0.88 PYGL (0.73) PYGLCYP2C9
SCHEMBL5192965 0.87 PYGL (0.72) PYGLCYP2C9
SCHEMBL5195504 0.87 PYGL (0.72) PYGLCYP2C9
SCHEMBL5194707 0.86 PYGL (0.70) PYGLCYP2C9
SCHEMBL5194489 0.86 PYGL (0.70) PYGLCYP2C9
SCHEMBL5192394 0.85 PYGL (0.86) PYGLCYP2C9

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-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed