SCHEMBL806981

C=N/C(=C\N(N)Cn1ccc2cc([N+](=O)[O-])ccc21)CCCCNC(=O)C1CC(C)C(O[C@@H]2OC(C)[C@@H](O)C(O)C2O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SELE	P16581	19/20	0.49

▸	SELP	P16109	1/20	0.36

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
SCHEMBL16378166	0.88	SELE (0.52)	SELESELP
SCHEMBL806655	0.88	SELE (0.52)	SELESELP
SCHEMBL806873	0.86	SELE (0.56)	SELESELP
SCHEMBL16378221	0.86	SELE (0.56)	SELESELP
SCHEMBL16378217	0.86	SELE (0.57)	SELESELP
SCHEMBL806866	0.86	SELE (0.57)	SELESELP
SCHEMBL807222	0.86	SELE (0.57)	SELESELP
SCHEMBL16378239	0.86	SELE (0.57)	SELESELP
SCHEMBL806979	0.85	SELE (0.60)	SELESELP
SCHEMBL806985	0.85	SELE (0.60)	SELESELP

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-2012037034-A1	E-SELECTIN ANTAGONISTS	GLYCOMIMETICS, INC. (US)	2012-03-22	—	—	WO	disclosed