SCHEMBL28909019

SCHEMBL28909019

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 2/20 0.48
LGALS3 P17931 2/20 0.48
LGALS9 O00182 1/20 0.48
LGALS8 O00214 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA3 P07451 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SELP P16109 1/20 0.47
PYGB P11216 7/20 0.46
GAA P10253 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
SCHEMBL7199426 1.00 LGALS1 (0.48) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL20161429 1.00 LGALS1 (0.48) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL20161428 1.00 LGALS1 (0.48) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL7074760 0.98 CA12 (0.45) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL20888687 0.86 SELP (0.42) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL18819645 0.86 SELP (0.42) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL3291698 0.85 SELP (0.47) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL27974501 0.85 SELP (0.47) LGALS1LGALS3LGALS9LGALS8CA12
SCHEMBL9125622 0.84 IDUA (0.38) LGALS1LGALS3LGALS9LGALS8SELP
SCHEMBL9125616 0.84 IDUA (0.38) LGALS1LGALS3LGALS9LGALS8SELP

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-115448964-A Hexose derivatives and their formulations and use 里斯本大学科学与技术学院 2022-12-09 CN disclosed