SCHEMBL20868657

SCHEMBL20868657

CC(=N)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(C(=O)NC3CCCC3)nn2)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 19/20 0.53
LGALS9 O00182 10/20 0.53
LGALS7; LGALS7B P47929 9/20 0.53
LGALS8 O00214 7/20 0.53
LGALS1 P09382 4/20 0.51
SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL20869036 0.99 LGALS3 (0.52) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL20868575 0.98 LGALS3 (0.53) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL23374297 0.87 LGALS3 (0.57) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL23374275 0.86 LGALS3 (0.58) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL23374446 0.78 LGALS3 (0.54) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL19580099 0.72 LGALS3 (0.73) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL13385541 0.70 LGALS3 (0.74) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL10067559 0.70 LGALS3 (0.74) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL3277373 0.70 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1
SCHEMBL1425152 0.70 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS8LGALS1

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-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 WO disclosed