SCHEMBL3714856

SCHEMBL3714856

CC1([O])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PYGB P11216 8/20 0.46
PYGL P06737 3/20 0.46
PYGM P11217 2/20 0.46
LMNA P02545 1/20 0.39
GBA1 P04062 1/20 0.39
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37

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
SCHEMBL14502562 0.78 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL13594841 0.78 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL18890762 0.78 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL14502578 0.78 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL14502563 0.78 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL24924778 0.78 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL19226203 0.78 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL3219087 0.77 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL3223069 0.77 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL17354424 0.77 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1

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-2010102673-A1 HELLEBRIN AND HELLEBRIGENIN DERIVATIVES UNIBIOSCREEN S.A. (BE) 2010-09-16 WO disclosed