SCHEMBL28299287

SCHEMBL28299287

O=C(O)CCOc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.58
TK2 O00142 4/20 0.54
SLC28A1 O00337 1/20 0.50
SLC28A2 O43868 1/20 0.50
SLC29A1 Q99808 1/20 0.50
SLC28A3 Q9HAS3 1/20 0.50
P2RY6 Q15077 4/20 0.48
DNPH1 O43598 1/20 0.47
P2RY2 P41231 2/20 0.46
TYMP P19971 1/20 0.44

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
SCHEMBL18512877 0.89 PYGM (0.61) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL18512878 0.89 PYGM (0.61) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL41703 0.89 PYGM (0.61) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL600800 0.87 PYGM (0.64) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL600801 0.87 PYGM (0.64) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL16152124 0.86 PYGM (0.60) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL17372249 0.84 PYGM (0.63) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL16152125 0.84 PYGM (0.63) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL22028243 0.83 PYGM (0.67) PYGMTK2SLC28A1SLC28A2SLC29A1
SCHEMBL2754231 0.83 PYGM (0.71) PYGMTK2SLC28A1SLC28A2SLC29A1

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
CN-109906275-A Detect the composition and method of cardiovascular disease neurological susceptibility 爱荷华大学研究基金会 2019-06-18 CN disclosed