SCHEMBL16258796

SCHEMBL16258796

CCCCNC(=O)c1cn(C2[C@@H](O)C(CO)O[C@@H](SC)[C@H]2O)nn1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.87
LGALS9 O00182 7/20 0.87
LGALS8 O00214 7/20 0.87
LGALS7; LGALS7B P47929 7/20 0.87
LGALS1 P09382 5/20 0.87

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
SCHEMBL13385534 1.00 LGALS3 (0.87) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL3281932 1.00 LGALS3 (0.87) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL13404786 1.00 LGALS3 (0.87) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL13385538 0.94 LGALS3 (0.77) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL3277187 0.94 LGALS3 (0.77) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL13405067 0.94 LGALS3 (0.77) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL3276985 0.86 LGALS3 (0.86) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL13404617 0.86 LGALS3 (0.86) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL16258793 0.86 LGALS3 (0.86) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1
SCHEMBL13385533 0.86 LGALS3 (0.86) LGALS3LGALS9LGALS8LGALS7; LGALS7BLGALS1

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