SCHEMBL29949817

SCHEMBL29949817

OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
CD209 Q9NNX6 2/20 0.54
LGALS8 O00214 1/20 0.51
LGALS3 P17931 1/20 0.51
LGALS4 P56470 1/20 0.51
ACHE P22303 1/20 0.50
CA2 P00918 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ENGASE Q8NFI3 1/20 0.48
PTPN1 P18031 1/20 0.48
L3MBTL1 Q9Y468 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
Melibiose SCHEMBL18398874 0.95 GAA (0.56) GAACDK1CCNB1CD209LGALS8
SCHEMBL5793535 0.92 GAA (0.65) GAACDK1CCNB1CD209LGALS8
SCHEMBL8325931 0.92 GAA (0.65) GAACDK1CCNB1CD209LGALS8
SCHEMBL20315376 0.92 GAA (0.65) GAACDK1CCNB1CD209LGALS8
SCHEMBL9317257 0.92 CD209 (0.65) GAACDK1CCNB1CD209LGALS8
SCHEMBL11265985 0.92 LGALS3 (0.63) GAACDK1CCNB1CD209LGALS8
SCHEMBL12990218 0.91 CD209 (0.64) GAACDK1CCNB1CD209LGALS8
SCHEMBL12990264 0.91 CD209 (0.64) GAACDK1CCNB1CD209LGALS8
SCHEMBL29777515 0.91 CD209 (0.64) GAACDK1CCNB1CD209LGALS8
SCHEMBL12989798 0.91 CD209 (0.64) GAACDK1CCNB1CD209LGALS8

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-109789316-B Compositions and methods for treating lysosomal storage disorders and disorders characterized by lysosomal dysfunction 贝勒医学院 2022-09-27 CN disclosed