SCHEMBL19491830

CC1C(O[C@@H](CC2CCCCC2)C(=O)O)[C@@H](O)[C@H](CO)O[C@H]1O[C@@H]1CCCC(CI)[C@H]1OC1O[C@@H](C)C(O)[C@H](O)[C@@H]1O

nearest known ligand 0.73

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SELE	P16581	19/20	0.73

▸	SELP	P16109	1/20	0.35

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
SCHEMBL19491829	0.90	SELE (0.60)	SELE
SCHEMBL19491831	0.89	SELE (0.57)	SELE
SCHEMBL17903035	0.85	SELE (1.00)	SELESELP
SCHEMBL16659817	0.83	SELE (0.74)	SELE
SCHEMBL14944302	0.82	SELE (0.68)	SELESELP
SCHEMBL22247352	0.82	SELE (0.86)	SELESELP
SCHEMBL18211304	0.82	SELE (0.88)	SELESELP
SCHEMBL12085698	0.82	SELE (0.88)	SELESELP
SCHEMBL17903034	0.82	SELE (0.88)	SELESELP
SCHEMBL13272239	0.82	SELE (0.88)	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
US-9796745-B2	E-selectin antagonist compounds, compositions, and methods of use	GLYCOMIMETICS, INC. (US)	2017-10-24	—	—	US	disclosed