SCHEMBL26124755

SCHEMBL26124755

CC(O)C(O)CO.N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1(N)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PYGB P11216 2/20 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
SCHEMBL30177611 0.84 GBA1 (0.42) GBA1GAAPYGB
SCHEMBL30549234 0.84 GBA1 (0.42) GBA1GAAPYGB
SCHEMBL27560168 0.69 GBA1 (0.41) GBA1GAAPYGB
SCHEMBL31347458 0.68 GBA1 (0.43) GBA1GAAPYGB
SCHEMBL8591408 0.68 PYGB (0.44) GBA1GAAPYGB
SCHEMBL30335844 0.68 PYGB (0.44) GBA1GAAPYGB
SCHEMBL28520844 0.68 PYGB (0.44) GBA1GAAPYGB
SCHEMBL5610713 0.68 PYGB (0.44) GBA1GAAPYGB
SCHEMBL28510346 0.68 PYGB (0.44) GBA1GAAPYGB
SCHEMBL6657589 0.68 PYGB (0.44) GBA1GAAPYGB

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-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 — — WO disclosed
Send feedback