SCHEMBL15975416

CC(=O)NC1[C@H](OC2[C@H](OC3[C@H](C)OC(C)[C@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)OC(C)[C@H](OCc3ccccc3)[C@@H]2O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)OC(CO)[C@@H](O)[C@@H]1O[C@@H]1OC(C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	2/20	0.43

▸	KMT2A	Q03164	1/20	0.43

▸	POLB	P06746	1/20	0.42

▸	MAG	P20916	1/20	0.42

▸	PTPN1	P18031	6/20	0.41

▸	TP53	P04637	2/20	0.41

▸	MDM2	Q00987	2/20	0.41

▸	NT5E	P21589	1/20	0.41

▸	PTPN2	P17706	1/20	0.40

▸	PTPN11	Q06124	1/20	0.40

▸	MDM4	O15151	1/20	0.39

▸	HSP90AA1	P07900	1/20	0.39

▸	HSP90AB1	P08238	1/20	0.39

▸	CDC25B	P30305	3/20	0.39

▸	LGALS8	O00214	1/20	0.39

▸	GJB2	P29033	1/20	0.39

▸	LGALS3	P17931	1/20	0.39

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
SCHEMBL13130039	1.00	LMNA (0.43)	LMNAKMT2APOLBMAGPTPN1
SCHEMBL13129951	0.93	MAG (0.42)	LMNAKMT2APOLBMAGPTPN1
SCHEMBL15975410	0.89	MAG (0.41)	LMNAKMT2APOLBMAGPTPN1
SCHEMBL13129953	0.88	MAG (0.45)	MAGPTPN1TP53MDM2NT5E
SCHEMBL13130034	0.86	POLB (0.44)	POLBMAGTP53MDM2GJB2
SCHEMBL15975418	0.86	TP53 (0.45)	POLBMAGTP53MDM2MDM4
SCHEMBL15975380	0.85	LMNA (0.55)	LMNAKMT2APOLBPTPN1TP53
SCHEMBL13129957	0.85	SLC6A2 (0.43)	MAGPTPN1TP53MDM2NT5E
SCHEMBL13129834	0.85	LMNA (0.55)	LMNAKMT2APOLBPTPN1TP53
SCHEMBL13129931	0.85	NT5E (0.47)	PTPN1NT5EPTPN2PTPN11CDC25B

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