SCHEMBL15975412

CC(=O)NC1[C@H](C)OC(CO)[C@@H](O)[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 0.43

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	MAG	P20916	1/20	0.43

▸	TP53	P04637	2/20	0.43

▸	MDM2	Q00987	2/20	0.43

▸	SLC6A2	P23975	2/20	0.42

▸	LGALS3	P17931	5/20	0.40

▸	PTPN1	P18031	4/20	0.40

▸	MDM4	O15151	1/20	0.40

▸	HSP90AA1	P07900	1/20	0.40

▸	HSP90AB1	P08238	1/20	0.40

▸	LGALS7; LGALS7B	P47929	2/20	0.40

▸	LGALS9	O00182	1/20	0.40

▸	LGALS8	O00214	1/20	0.40

▸	LGALS1	P09382	1/20	0.39

▸	GJB2	P29033	1/20	0.39

▸	PTPN2	P17706	1/20	0.39

▸	PTPN11	Q06124	1/20	0.39

▸	CDC25B	P30305	2/20	0.38

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
SCHEMBL13129957	0.98	SLC6A2 (0.43)	MAGTP53MDM2SLC6A2LGALS3
SCHEMBL13129953	0.96	MAG (0.45)	MAGTP53MDM2SLC6A2LGALS3
SCHEMBL15975410	0.96	MAG (0.41)	MAGTP53MDM2SLC6A2LGALS3
SCHEMBL13129951	0.92	MAG (0.42)	MAGTP53MDM2SLC6A2LGALS3
SCHEMBL15975418	0.86	TP53 (0.45)	MAGTP53MDM2LGALS3MDM4
SCHEMBL15975411	0.85	TP53 (0.39)	MAGTP53MDM2PTPN1MDM4
SCHEMBL13130039	0.84	LMNA (0.43)	MAGTP53MDM2LGALS3PTPN1
SCHEMBL15975416	0.84	LMNA (0.43)	MAGTP53MDM2LGALS3PTPN1
SCHEMBL16489960	0.84	MAG (0.42)	MAGSLC6A2LGALS3LGALS7; LGALS7BLGALS9
SCHEMBL15975405	0.84	GJB2 (0.47)	SLC6A2PTPN1GJB2PTPN2PTPN11

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