SCHEMBL28100889

CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO.CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	MAG	P20916	7/20	0.59

▸	SELP	P16109	2/20	0.58

▸	SELL	P14151	2/20	0.58

▸	SIGLEC7	Q9Y286	5/20	0.56

▸	SELE	P16581	4/20	0.56

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
SCHEMBL29454799	0.95	SELP (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL29361397	0.95	MAG (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL23857822	0.95	MAG (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL28957980	0.93	SIGLEC7 (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL21570084	0.93	SIGLEC7 (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL28957979	0.93	SIGLEC7 (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL29364999	0.93	SIGLEC7 (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL21570085	0.93	SIGLEC7 (0.62)	MAGSELPSELLSIGLEC7SELE
SCHEMBL31717358	0.91	SELP (0.65)	MAGSELPSELLSIGLEC7SELE
SCHEMBL31716413	0.91	SELP (0.64)	MAGSELPSELLSIGLEC7SELE

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-103442696-B	Prevention or two sialic acid LNT (oligosaccharide). (DSLNT) or its variant, isomer, sum analogous to general Dedekind sum of suppression enteropathy	加利福尼亚大学董事会	2016-09-21	—	—	CN	disclosed