SCHEMBL4964501

CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](COP(C)(=O)O)O[C@@H](O[C@@H]3[C@@H](NC(C)=O)[C@@H](OCCN)O[C@H](COP(C)(=O)O)[C@H]3OCCN)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	1/20	0.48

▸	LGALS3	P17931	2/20	0.47

▸	LGALS8	O00214	1/20	0.47

▸	LGALS4	P56470	1/20	0.47

▸	CD69	Q07108	1/20	0.44

▸	IGF2R	P11717	2/20	0.44

▸	MEN1	O00255	1/20	0.43

▸	KMT2A	Q03164	1/20	0.43

▸	CA1	P00915	2/20	0.43

▸	CA2	P00918	2/20	0.43

▸	CA9	Q16790	2/20	0.43

▸	P2RY14	Q15391	1/20	0.41

▸	ALDH1A1	P00352	1/20	0.41

▸	THRB	P10828	1/20	0.41

▸	P2RY2	P41231	1/20	0.41

▸	P2RY4	P51582	1/20	0.41

▸	P2RY6	Q15077	1/20	0.41

▸	CHIA	Q9BZP6	1/20	0.39

▸	HPSE	Q9Y251	2/20	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
SCHEMBL17468115	0.86	MAPK1 (0.63)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL12128071	0.82	MAPK1 (0.55)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL12130255	0.82	MAPK1 (0.55)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL12128058	0.80	MAPK1 (0.53)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL13702251	0.80	MAPK1 (0.71)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL21018974	0.80	MAPK1 (0.71)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL21940522	0.80	MAPK1 (0.71)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL22576748	0.80	MAPK1 (0.71)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL19903782	0.80	MAPK1 (0.71)	MAPK1LGALS3LGALS8LGALS4CD69
SCHEMBL14345965	0.80	MAPK1 (0.71)	MAPK1LGALS3LGALS8LGALS4CD69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1885734-B1	IMMUNOGENS FOR MENINGITIDIS-A VACCINES	NOVARTIS AG (CH)	2015-01-14	—	—	EP	disclosed
EP-1885734-A2	IMMUNOGENS FOR MENINGITIDIS-A VACCINES	Novartis Vaccines and Diagnostics S.r.l. (IT)	2008-02-13	—	—	EP	disclosed
WO-2006120576-A2	IMMUNOGENS FOR MENINGITIDIS-A VACCINES	NOVARTIS VACCINES AND DIAGNOSTICS SRL (IT)	2006-11-16	—	—	WO	disclosed