SCHEMBL30540287

CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@H]5N=C(C)O[C@H]5O[C@@H]4CO)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H](/C=N/OCCN=[N+]=[N-])O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H](/C=N/OCCN=[N+]=[N-])O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	SIGLEC7	Q9Y286	6/20	0.48

▸	CD209	Q9NNX6	2/20	0.43

▸	ENGASE	Q8NFI3	1/20	0.39

▸	MAG	P20916	6/20	0.37

▸	PTN	P21246	1/20	0.36

▸	MDK	P21741	1/20	0.36

▸	BDNF	P23560	1/20	0.36

▸	CHIA	Q9BZP6	1/20	0.36

▸	LGALS3	P17931	2/20	0.34

▸	LGALS8	O00214	1/20	0.34

▸	LGALS4	P56470	1/20	0.34

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
SCHEMBL24191630	0.81	SIGLEC7 (0.55)	SIGLEC7CD209MAG
SCHEMBL24191529	0.81	SIGLEC7 (0.55)	SIGLEC7CD209MAG
SCHEMBL26554564	0.79	SIGLEC7 (0.53)	SIGLEC7CD209MAG
SCHEMBL17447128	0.76	SIGLEC7 (0.49)	SIGLEC7MAG
SCHEMBL17447134	0.76	SIGLEC7 (0.69)	SIGLEC7CD209MAG
SCHEMBL13308268	0.74	ENGASE (0.48)	CD209ENGASECHIALGALS3LGALS8
SCHEMBL13004041	0.72	SIGLEC7 (0.65)	SIGLEC7MAG
SCHEMBL30532209	0.72	SIGLEC7 (0.65)	SIGLEC7MAG
SCHEMBL13004060	0.71	SIGLEC7 (0.63)	SIGLEC7MAG
SCHEMBL12534283	0.71	SIGLEC7 (0.63)	SIGLEC7MAG

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
CN-116621988-A	Endoglycosidase covalently modified by affinity fragment, preparation method thereof and application thereof in glycosylation modification of glycoprotein	中国科学院上海药物研究所	2023-08-22	—	—	CN	disclosed