SCHEMBL5194286

SCHEMBL5194286

COc1ccc(-c2ccc(C(=O)N[C@H](C(=O)O)C3CCCC3)c(N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.54
MMP2 P08253 11/20 0.54
MMP3 P08254 11/20 0.54
MMP1 P03956 10/20 0.54
MMP7 P09237 7/20 0.54
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
PYGL P06737 6/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP2C9 P11712 2/20 0.43
HDAC2 Q92769 1/20 0.42

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
SCHEMBL5423348 0.99 MMP13 (0.56) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5192203 0.87 MMP13 (0.46) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5192086 0.86 PYGL (0.49) PYGLCNR1CNR2CYP2C9
SCHEMBL5194927 0.86 PYGL (0.49) PYGLCNR1CNR2CYP2C9
SCHEMBL5195559 0.85 PYGL (0.45) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5194492 0.83 PYGL (0.48) PYGLCYP2C9
SCHEMBL5192583 0.83 MMP13 (0.53) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5196528 0.83 MMP13 (0.55) MMP13MMP2MMP3MMP1MMP7
SCHEMBL5427731 0.81 PYGL (0.48) PYGLCNR1CNR2CYP2C9
SCHEMBL5191862 0.80 PYGL (0.55) 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