SCHEMBL16348277

CC(=O)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(Oc3ccc([N+](=O)[O-])cc3)C(C)C2OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NT5E	P21589	1/20	0.55

▸	PTPN1	P18031	8/20	0.40

▸	PTPN2	P17706	3/20	0.40

▸	PTPN11	Q06124	3/20	0.40

▸	SELP	P16109	1/20	0.38

▸	CDC25B	P30305	5/20	0.37

▸	PTPN6	P29350	2/20	0.36

▸	CYP2D6	P10635	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.36

▸	MAPK1	P28482	1/20	0.36

▸	GJB2	P29033	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
SCHEMBL16318638	0.94	NT5E (0.53)	NT5EPTPN1PTPN2PTPN11SELP
SCHEMBL16317732	0.91	NT5E (0.51)	NT5EPTPN1PTPN2PTPN11SELP
SCHEMBL16318422	0.88	NT5E (0.52)	NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL16318419	0.87	NT5E (0.53)	NT5EPTPN1PTPN2PTPN11CDC25B
SCHEMBL12302617	0.87	NT5E (0.50)	NT5EPTPN1PTPN2PTPN11SELP
SCHEMBL7948006	0.85	NT5E (0.66)	NT5EPTPN1PTPN2PTPN11SELP
SCHEMBL12302610	0.82	NT5E (0.51)	NT5EPTPN1PTPN2PTPN11ALDH1A1
SCHEMBL8317395	0.81	NT5E (0.62)	NT5EPTPN1PTPN2PTPN11SELP
SCHEMBL7948003	0.81	NT5E (0.62)	NT5EPTPN1PTPN2PTPN11SELP
SCHEMBL12302616	0.81	NT5E (0.49)	NT5EPTPN1PTPN2PTPN11GJB2

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-7422733-B2	Linkable sialyl Lewis X analogs	BRACCO INTERNATIONAL B.V. (NL)	2008-09-09	—	—	US	disclosed