SCHEMBL5192299

SCHEMBL5192299

Nc1cc(Cl)ccc1C(=O)NC(C(=O)O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 16/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP2C9 P11712 2/20 0.46
CCR1 P32246 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL5192292 1.00 PYGL (0.51) PYGLKDM4EALDH1A1LMNARXFP1
SCHEMBL5195696 0.85 PYGL (0.53) PYGLCYP2C9
SCHEMBL5195449 0.85 PYGL (0.59) PYGLCYP2C9CNR1CNR2
SCHEMBL5197270 0.85 PYGL (0.46) PYGLCYP2C9CNR1CNR2
SCHEMBL5194685 0.85 PYGL (0.46) PYGLCYP2C9CNR1CNR2
SCHEMBL5195453 0.85 PYGL (0.59) PYGLCYP2C9CNR1CNR2
SCHEMBL5195691 0.85 PYGL (0.53) PYGLCYP2C9
SCHEMBL23201905 0.85 PYGL (0.55) PYGLALDH1A1CYP2C9CCR1
SCHEMBL5196236 0.85 PYGL (0.53) PYGLCYP2C9CNR1CNR2
SCHEMBL21583749 0.85 PYGL (0.55) PYGLALDH1A1CYP2C9CCR1

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