SCHEMBL18653374

CC(=O)NC1C(O)[C@@H](O)C(CO)O[C@H]1O[C@H]1C(CO)O[C@@H](OC2C(NC(C)=O)[C@H](O[C@H]3C(CO)O[C@@H](O[C@@H]4C(CO)OCC(O)C4O)C(O)C3O)OC(CO)[C@@H]2O)C(O)C1O[C@]1(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O1

nearest known ligand 0.67

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	SELP	P16109	2/20	0.67

▸	SELL	P14151	1/20	0.67

▸	SIGLEC7	Q9Y286	6/20	0.63

▸	MAG	P20916	8/20	0.63

▸	SELE	P16581	3/20	0.51

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
SCHEMBL18653338	0.96	SELL (0.68)	SELPSELLSIGLEC7MAGSELE
SCHEMBL18653306	0.94	SIGLEC7 (0.68)	SELPSELLSIGLEC7MAGSELE
SCHEMBL30653352	0.93	MAG (0.66)	SELPSELLSIGLEC7MAGSELE
SCHEMBL31701590	0.93	MAG (0.66)	SELPSELLSIGLEC7MAGSELE
SCHEMBL31701547	0.93	MAG (0.66)	SELPSELLSIGLEC7MAGSELE
SCHEMBL27421253	0.92	SELP (0.68)	SELPSELLSIGLEC7MAGSELE
SCHEMBL20885210	0.92	SELP (0.68)	SELPSELLSIGLEC7MAGSELE
SCHEMBL31700826	0.92	SELP (0.64)	SELPSELLSIGLEC7MAGSELE
SCHEMBL31700526	0.92	MAG (0.66)	SELPSELLSIGLEC7MAGSELE
SCHEMBL31700436	0.92	MAG (0.66)	SELPSELLSIGLEC7MAGSELE

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
WO-2017046172-A1	CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS	UNIVERSITÄT BASEL (CH)	2017-03-23	—	—	WO	disclosed