SCHEMBL15975409

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)C1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	TP53	P04637	2/20	0.37

▸	MDM2	Q00987	2/20	0.37

▸	GJB2	P29033	4/20	0.36

▸	PTPN1	P18031	4/20	0.36

▸	LMNA	P02545	2/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	MAG	P20916	1/20	0.35

▸	POLB	P06746	1/20	0.35

▸	NT5E	P21589	1/20	0.35

▸	PTPN2	P17706	1/20	0.35

▸	PTPN11	Q06124	1/20	0.35

▸	MDM4	O15151	1/20	0.34

▸	HSP90AA1	P07900	1/20	0.34

▸	HSP90AB1	P08238	1/20	0.34

▸	L3MBTL1	Q9Y468	1/20	0.34

▸	GJA1	P17302	2/20	0.34

▸	CDC25B	P30305	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
SCHEMBL15975394	0.97	PTPN1 (0.38)	TP53MDM2GJB2PTPN1LMNA
SCHEMBL13129950	0.97	PTPN1 (0.38)	TP53MDM2GJB2PTPN1LMNA
SCHEMBL15975408	0.96	PTPN1 (0.37)	TP53MDM2GJB2PTPN1LMNA
SCHEMBL15975411	0.96	TP53 (0.39)	TP53MDM2GJB2PTPN1MAG
SCHEMBL13129948	0.95	PTPN1 (0.39)	TP53MDM2GJB2PTPN1LMNA
SCHEMBL13129955	0.93	PTPN1 (0.41)	TP53MDM2GJB2PTPN1MAG
SCHEMBL15975395	0.93	PTPN1 (0.41)	TP53MDM2GJB2PTPN1MAG
SCHEMBL13130062	0.91	PTPN1 (0.38)	TP53MDM2GJB2PTPN1LMNA
SCHEMBL13130044	0.91	PTPN1 (0.38)	TP53MDM2GJB2PTPN1LMNA
SCHEMBL13130060	0.91	PTPN1 (0.38)	TP53MDM2GJB2PTPN1LMNA

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