SCHEMBL3958284

SCHEMBL3958284

CC(=O)NC1([O])C[C@@H](O)[C@H](O)[C@@H](CO)O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 4/20 0.37
▸ OGA O60502 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ASGR1 P07306 1/20 0.31
▸ LGALS3 P17931 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CD69 Q07108 1/20 0.30

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
SCHEMBL8444358 0.81 PYGB (0.37) PYGBOGAASGR1ALDH1A1CD69
SCHEMBL29728301 0.81 PYGB (0.37) PYGBOGAASGR1ALDH1A1CD69
SCHEMBL6565879 0.81 PYGB (0.37) PYGBOGAASGR1ALDH1A1CD69
SCHEMBL17988423 0.80 PYGB (0.36) PYGBOGAASGR1ALDH1A1
SCHEMBL8369942 0.71 CDK1 (0.40) PYGBLGALS3ALDH1A1CD69
SCHEMBL29484208 0.69 PYGB (0.49) PYGBOGAGAA
SCHEMBL28379664 0.69 PYGB (0.49) PYGBOGAGAA
SCHEMBL29406981 0.69 PYGB (0.49) PYGBOGAGAA
SCHEMBL15284881 0.69 PYGB (0.49) PYGBOGAGAA
SCHEMBL1674154 0.69 PYGB (0.49) PYGBOGAGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033505-A1 HELLEBRIN DERIVATIVES UNIBIOSCREEN S.A. (BE) 2009-03-19 — — WO claimed
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