SCHEMBL15975411

CC(=O)NC1[C@H](C)OC2COC(C)(C)O[C@H]2[C@@H]1O[C@@H]1OC(C)[C@H](OCc2ccccc2)[C@H](O[C@@H]2OC(C)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)C2O[C@@H]2OC(C)[C@H](OCc3ccccc3)[C@H](O[C@H]3O[C@@H](COCc4ccccc4)[C@@H](OCc4ccccc4)C(OCc4ccccc4)C3C)C2O)C1O

nearest known ligand 0.39

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	TP53	P04637	2/20	0.39

▸	MDM2	Q00987	2/20	0.39

▸	PTPN1	P18031	6/20	0.38

▸	MAG	P20916	1/20	0.37

▸	GJB2	P29033	4/20	0.37

▸	PTPN2	P17706	1/20	0.37

▸	PTPN11	Q06124	1/20	0.37

▸	L3MBTL1	Q9Y468	1/20	0.36

▸	MDM4	O15151	1/20	0.36

▸	HSP90AA1	P07900	1/20	0.36

▸	HSP90AB1	P08238	1/20	0.36

▸	NT5E	P21589	1/20	0.35

▸	CDC25B	P30305	3/20	0.34

▸	GJA1	P17302	2/20	0.34

▸	BCHE	P06276	1/20	0.34

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
SCHEMBL15975395	0.97	PTPN1 (0.41)	TP53MDM2PTPN1MAGGJB2
SCHEMBL13129955	0.97	PTPN1 (0.41)	TP53MDM2PTPN1MAGGJB2
SCHEMBL15975409	0.96	TP53 (0.37)	TP53MDM2PTPN1MAGGJB2
SCHEMBL13129950	0.93	PTPN1 (0.38)	TP53MDM2PTPN1MAGGJB2
SCHEMBL15975394	0.93	PTPN1 (0.38)	TP53MDM2PTPN1MAGGJB2
SCHEMBL15975408	0.92	PTPN1 (0.37)	TP53MDM2PTPN1GJB2PTPN2
SCHEMBL13129948	0.91	PTPN1 (0.39)	TP53MDM2PTPN1GJB2PTPN2
SCHEMBL13130044	0.87	PTPN1 (0.38)	TP53MDM2PTPN1GJB2PTPN2
SCHEMBL13130062	0.87	PTPN1 (0.38)	TP53MDM2PTPN1GJB2PTPN2
SCHEMBL16489961	0.87	MAG (0.35)	TP53MDM2PTPN1MAGGJB2

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-8815239-B2	Glycoconjugates and use thereof as vaccine against Shigella flexneri serotype 3a and X	INSTITUT PASTEUR (FR)	2014-08-26	—	—	US	disclosed