SCHEMBL5216655

SCHEMBL5216655

CC(C)(C)OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1N)[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 15/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
CYP2C9 P11712 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL5422892 0.85 PYGL (0.49) PYGLMMP1MMP2MMP3MMP7
SCHEMBL5195746 0.74 RAB9A (0.40) PYGLCYP2C9L3MBTL1RAB9A
SCHEMBL5194761 0.74 PYGL (0.39) PYGLMMP1MMP2MMP3MMP7
SCHEMBL5193828 0.73 PYGL (0.60) PYGLCYP2C9IDO1
SCHEMBL5191881 0.73 MMP1 (0.42) MMP1MMP2MMP3MMP7MMP13
SCHEMBL5192366 0.73 KDM4E (0.48) PYGLMMP13RAB9AKMT2AAAK1
SCHEMBL5191876 0.72 PYGL (0.62) PYGLCYP2C9IDO1
SCHEMBL5192203 0.72 MMP13 (0.46) MMP1MMP2MMP3MMP7MMP13
SCHEMBL5195809 0.71 PYGL (0.50) PYGLCYP2C9IDO1
Hydrochloric Acid SCHEMBL5192284 0.71 PYGL (0.61) PYGLCYP2C9IDO1

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