SCHEMBL22790271

SCHEMBL22790271

O=C(NC1C(O)[C@H](SC2O[C@H](CO)C(O)C(NC(=O)c3ccccc3)[C@H]2O)OC(CO)[C@@H]1O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 14/20 1.00
LGALS9 O00182 9/20 1.00
LGALS7; LGALS7B P47929 8/20 1.00
LGALS1 P09382 8/20 1.00
LGALS8 O00214 5/20 0.70
HK1 P19367 2/20 0.57
HK2 P52789 2/20 0.57

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
SCHEMBL2430523 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL13595435 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL13595409 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2430521 1.00 LGALS3 (1.00) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2430341 0.90 LGALS3 (0.82) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2430344 0.90 LGALS3 (0.82) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL17414615 0.90 LGALS3 (0.81) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL5450852 0.87 LGALS3 (0.77) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2430865 0.87 LGALS3 (0.77) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8
SCHEMBL2430098 0.87 LGALS3 (0.77) LGALS3LGALS9LGALS7; LGALS7BLGALS1LGALS8

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-2020248068-A1 SYNTHESIS OF 3-AZIDO-3-DEOXY-D-GALACTOPYRANOSE UNIVERSITé LAVAL (CA) 2020-12-17 WO disclosed