SCHEMBL29217350

SCHEMBL29217350

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 5/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LGALS8 O00214 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TYR P14679 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ PTPN1 P18031 1/20 0.46

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
SCHEMBL28902343 1.00 PYGB (0.50) PYGBL3MBTL1LGALS8GAATYR
SCHEMBL28463195 1.00 PYGB (0.50) PYGBL3MBTL1LGALS8GAATYR
SCHEMBL28453329 1.00 PYGB (0.50) PYGBL3MBTL1LGALS8GAATYR
SCHEMBL7211096 0.93 PYGB (0.53) PYGBL3MBTL1LGALS8GAAMAPT
SCHEMBL10701597 0.91 LGALS8 (0.51) PYGBL3MBTL1LGALS8MAPTALDH1A1
SCHEMBL10701594 0.91 LGALS8 (0.51) PYGBL3MBTL1LGALS8MAPTALDH1A1
SCHEMBL6410535 0.89 LGALS8 (0.56) PYGBL3MBTL1LGALS8GAATYR
SCHEMBL1097983 0.89 LGALS8 (0.56) PYGBL3MBTL1LGALS8GAATYR
SCHEMBL229813 0.89 LGALS8 (0.56) PYGBL3MBTL1LGALS8GAATYR
SCHEMBL9684872 0.86 L3MBTL1 (0.47) PYGBL3MBTL1LGALS8GAATYR

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-117858882-A Prodrugs having 1- (disulfanyl) alkoxy-carbonyl units 药物有限公司 2024-04-09 — — CN disclosed
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