SCHEMBL19491871

CC[C@@H](COC1O[C@@H](C)C(O)[C@H](O)[C@@H]1O)CC(C[C@H](C)O[C@@H]1OC(CO)C(O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1NC(C)=O)C(=O)NCCN

nearest known ligand 0.49

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	SELE	P16581	15/20	0.49

▸	ALDH1A1	P00352	1/20	0.39

▸	THRB	P10828	1/20	0.39

▸	SELL	P14151	2/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	SELP	P16109	1/20	0.32

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
SCHEMBL19479261	0.95	SELE (0.45)	SELEALDH1A1THRBSELLMAPK1
SCHEMBL24489392	0.93	SELE (0.49)	SELEALDH1A1THRBSELLMAPK1
SCHEMBL21992170	0.92	SELE (0.46)	SELEALDH1A1THRBSELLMAPK1
SCHEMBL19479292	0.90	SELE (0.52)	SELEALDH1A1THRBSELLMAPK1
SCHEMBL24489376	0.90	SELE (0.42)	SELEALDH1A1THRBSELLMAPK1
SCHEMBL19479265	0.88	SELE (0.44)	SELEALDH1A1THRBSELLMAPK1
SCHEMBL25446620	0.87	SELE (0.48)	SELEALDH1A1THRBMAPK1
SCHEMBL16661824	0.86	SELE (0.49)	SELESELLSELP
SCHEMBL21991817	0.85	SELE (0.50)	SELEALDH1A1THRBSELL
SCHEMBL21991802	0.84	SELE (0.38)	SELEALDH1A1THRBMAPK1

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