SCHEMBL15975418

CC(=O)NC1[C@H](OC2[C@H](C)OC(C)[C@H](OCc3ccccc3)[C@@H]2O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2C)OC(CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TP53	P04637	2/20	0.45

▸	MDM2	Q00987	2/20	0.45

▸	POLB	P06746	1/20	0.42

▸	LGALS3	P17931	2/20	0.42

▸	HRAS	P01112	1/20	0.42

▸	CD69	Q07108	1/20	0.42

▸	MDM4	O15151	1/20	0.41

▸	HSP90AA1	P07900	1/20	0.41

▸	HSP90AB1	P08238	1/20	0.41

▸	LGALS1	P09382	1/20	0.41

▸	LGALS7; LGALS7B	P47929	1/20	0.41

▸	GJB2	P29033	1/20	0.41

▸	MAG	P20916	1/20	0.41

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
SCHEMBL13130034	0.94	POLB (0.44)	TP53MDM2POLBLGALS3HRAS
SCHEMBL15975417	0.93	GJB2 (0.41)	TP53MDM2GJB2
SCHEMBL16489968	0.88	SLC6A2 (0.44)	POLBLGALS3HRASCD69
SCHEMBL13130031	0.87	PTPN1 (0.45)	GJB2
SCHEMBL15975412	0.86	MAG (0.43)	TP53MDM2LGALS3MDM4HSP90AA1
SCHEMBL11170198	0.86	MAG (0.49)	TP53MDM2POLBLGALS3HRAS
SCHEMBL11170193	0.86	MAG (0.49)	TP53MDM2POLBLGALS3HRAS
SCHEMBL11494535	0.86	MAG (0.49)	TP53MDM2POLBLGALS3HRAS
SCHEMBL13130039	0.86	LMNA (0.43)	TP53MDM2POLBLGALS3MDM4
SCHEMBL15975416	0.86	LMNA (0.43)	TP53MDM2POLBLGALS3MDM4

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