SCHEMBL29562076

CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	LGALS3	P17931	3/20	0.54

▸	LGALS8	O00214	1/20	0.54

▸	LGALS4	P56470	1/20	0.54

▸	AMY2A	P04746	4/20	0.48

▸	CD209	Q9NNX6	2/20	0.47

▸	ENGASE	Q8NFI3	1/20	0.47

▸	SELL	P14151	1/20	0.45

▸	SELE	P16581	1/20	0.43

▸	HPSE	Q9Y251	2/20	0.43

▸	CHIA	Q9BZP6	1/20	0.41

▸	CD69	Q07108	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.

Compound	similarity	top predicted	shared targets
SCHEMBL31700996	0.98	LGALS3 (0.55)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31700989	0.98	LGALS3 (0.55)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31614387	0.98	LGALS3 (0.55)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31139978	0.97	LGALS3 (0.53)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31700982	0.97	LGALS3 (0.56)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31701551	0.97	LGALS3 (0.56)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL29441450	0.97	LGALS3 (0.56)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31701560	0.97	LGALS3 (0.56)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31700418	0.97	LGALS3 (0.56)	LGALS3LGALS8LGALS4AMY2ACD209
SCHEMBL31701174	0.97	LGALS3 (0.53)	LGALS3LGALS8LGALS4AMY2ACD209

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11371033-B2	Subtilase cytotoxin B subunit mutant	GRIFFITH UNIVERSITY (AU)	2022-06-28	—	—	US	disclosed