SCHEMBL19865611

CCC1CCC(C(=O)NCCNC(=O)Cc2cc(=O)oc3cc(O)ccc23)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)C1OC1O[C@@H](C)C(O)C(O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	SELE	P16581	19/20	0.63

▸	KDM4E	B2RXH2	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.36

▸	GLA	P06280	1/20	0.36

▸	GAA	P10253	1/20	0.36

▸	CASP1	P29466	1/20	0.36

▸	CASP7	P55210	1/20	0.36

▸	HSD17B10	Q99714	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
SCHEMBL19943884	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL19992245	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL19479344	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL19479238	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL16661822	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL24425681	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL17777237	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL22898069	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL22006978	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA
SCHEMBL19491792	0.97	SELE (0.68)	SELEKDM4EALDH1A1GLAGAA

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
EP-2928476-B1	COMPOUNDS, COMPOSITIONS AND METHODS USING E-SELECTIN ANTAGONISTS FOR MOBILIZATION OF HEMATOPOIETIC CELLS	GLYCOMIMETICS INC (US)	2018-02-14	—	—	EP	disclosed