SCHEMBL16258795

SCHEMBL16258795

CS[C@@H]1OC(CO)[C@H](O)C(n2cc(-c3ccccc3)nn2)[C@@H]1O

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 19/20 0.83
LGALS1 P09382 9/20 0.83
LGALS8 O00214 1/20 0.66

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
SCHEMBL23005730 1.00 LGALS3 (0.83) LGALS3LGALS1LGALS8
SCHEMBL3276474 1.00 LGALS3 (0.83) LGALS3LGALS1LGALS8
SCHEMBL13385531 1.00 LGALS3 (0.83) LGALS3LGALS1LGALS8
SCHEMBL13404682 1.00 LGALS3 (0.83) LGALS3LGALS1LGALS8
SCHEMBL3278492 0.90 LGALS3 (0.68) LGALS3LGALS1LGALS8
SCHEMBL3281959 0.89 LGALS3 (0.66) LGALS3LGALS1LGALS8
SCHEMBL3284483 0.88 LGALS3 (0.66) LGALS3LGALS1LGALS8
SCHEMBL3281942 0.87 LGALS3 (0.68) LGALS3LGALS1
SCHEMBL15721140 0.86 LGALS3 (0.62) LGALS3LGALS1LGALS8
SCHEMBL3278177 0.86 LGALS3 (0.62) LGALS3LGALS1LGALS8

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
EP-2805961-A1 Novel 3-triazolyl-galactoside inhibitors of galectins Galecto Biotech AB (DK) 2014-11-26 EP disclosed