SCHEMBL15070101

CCC(CC)C(OC1O[C@@H](C(F)(F)F)C(O)C(O)[C@@H]1O)[C@@H](CC)O[C@@H]1OC(CO)[C@H](O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

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

▸	ALDH1A1	P00352	2/20	0.40

▸	THRB	P10828	1/20	0.40

▸	MAPK1	P28482	2/20	0.38

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	SLC5A1	P13866	1/20	0.32

▸	SLC5A2	P31639	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
SCHEMBL15070071	0.86	SELE (0.58)	SELEALDH1A1THRBSLC5A1SLC5A2
SCHEMBL19992328	0.84	ALDH1A1 (0.38)	SELEALDH1A1THRBMAPK1SMN1; SMN2
SCHEMBL19479229	0.82	SELE (0.44)	SELEALDH1A1THRBMAPK1
SCHEMBL17881699	0.82	SELE (0.45)	SELEALDH1A1THRBMAPK1
SCHEMBL17881667	0.81	SELE (0.60)	SELEALDH1A1THRBMAPK1
SCHEMBL16661823	0.81	SELE (0.60)	SELEALDH1A1THRBMAPK1
SCHEMBL15070100	0.81	SELE (0.60)	SELEALDH1A1THRBMAPK1
SCHEMBL21206362	0.79	SELE (0.59)	SELEALDH1A1THRBMAPK1
SCHEMBL23943307	0.79	SELE (0.57)	SELEALDH1A1THRBMAPK1
SCHEMBL19865609	0.78	ALDH1A1 (0.38)	SELEALDH1A1THRBMAPK1SMN1; SMN2

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-2013096926-A1	E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE	GLYCOMIMETICS, INC. (US)	2013-06-27	—	—	WO	disclosed