SCHEMBL5793535

SCHEMBL5793535

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
ACHE P22303 1/20 0.52
CA2 P00918 2/20 0.51
CD209 Q9NNX6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TYR P14679 1/20 0.47
MAPT P10636 1/20 0.47
LGALS8 O00214 1/20 0.47
LGALS3 P17931 1/20 0.47
LGALS4 P56470 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 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
SCHEMBL20315376 1.00 GAA (0.65) GAACDK1CCNB1ACHECA2
SCHEMBL8325931 1.00 GAA (0.65) GAACDK1CCNB1ACHECA2
SCHEMBL11892651 0.94 GAA (0.59) GAACDK1CCNB1ACHECA2
Melibiose SCHEMBL29542815 0.94 GAA (0.59) GAACDK1CCNB1ACHECA2
Melibiose SCHEMBL24013212 0.92 GAA (0.61) GAACDK1CCNB1ACHECA2
Melibiose SCHEMBL2354450 0.92 GAA (0.61) GAACDK1CCNB1ACHECA2
Melibiose SCHEMBL109659 0.92 GAA (0.61) GAACDK1CCNB1ACHECA2
Melibiose SCHEMBL21356838 0.92 GAA (0.61) GAACDK1CCNB1ACHECA2
Melibiose SCHEMBL21114348 0.92 GAA (0.61) GAACDK1CCNB1ACHECA2
SCHEMBL18650670 0.92 GAA (0.61) GAACDK1CCNB1ACHECA2

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-2006017727-A2 GLYCOSIDES AND SALTS THEREOF IVAX CORPORATION (US) 2006-02-16 WO disclosed