SCHEMBL12606381

COCC1O[C@@H](O[C@H]2C(OC)C(OC)[C@@H](O[C@H]3C(OC)C(OC)[C@H](O[C@@H]4C(CO)O[C@@H](O)C(OC)[C@H]4OC)O[C@H]3COC)O[C@H]2COC)C(OC)[C@@H](OC)[C@@H]1O[C@H]1OC(CN2C(=O)c3ccccc3C2=O)[C@@H](O[C@@H]2O[C@@H](COC(C)=O)[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)C(O)C3O)C(O)C2O)[C@H](OC)C1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	LGALS3	P17931	7/20	0.40

▸	LGALS9	O00182	4/20	0.40

▸	LGALS7; LGALS7B	P47929	3/20	0.40

▸	LGALS1	P09382	2/20	0.40

▸	PRKCA	P17252	1/20	0.36

▸	AKT1	P31749	1/20	0.36

▸	PTK2	Q05397	1/20	0.36

▸	FGF1	P05230	2/20	0.35

▸	FGF2	P09038	1/20	0.34

▸	VEGFA	P15692	1/20	0.34

▸	HPSE	Q9Y251	1/20	0.34

▸	P4HB	P07237	1/20	0.34

▸	AMY2A	P04746	1/20	0.34

▸	LGALS8	O00214	1/20	0.33

▸	LGALS4	P56470	1/20	0.33

▸	CA12	O43570	2/20	0.33

▸	CA1	P00915	2/20	0.33

▸	CA2	P00918	2/20	0.33

▸	CA9	Q16790	2/20	0.33

▸	PAX8	Q06710	1/20	0.33

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
SCHEMBL12606374	0.86	PRKCA (0.49)	PRKCAAKT1PTK2P4HBCA12
SCHEMBL12606380	0.86	PRKCA (0.49)	PRKCAAKT1PTK2P4HBCA12
SCHEMBL12606360	0.78	PRKCA (0.49)	PRKCAAKT1PTK2P4HBCA12
SCHEMBL12551983	0.76	LGALS9 (0.33)	LGALS3LGALS9LGALS7; LGALS7BLGALS1PRKCA
SCHEMBL12606364	0.76	PRKCA (0.46)	PRKCAAKT1PTK2P4HBCA12
SCHEMBL12551968	0.75	PRKCA (0.39)	PRKCAAKT1PTK2P4HBCA12
SCHEMBL12606372	0.75	PRKCA (0.45)	PRKCAAKT1PTK2P4HBCA12
SCHEMBL12551965	0.74	PRKCA (0.37)	PRKCAAKT1PTK2P4HBCA12
SCHEMBL12551984	0.74	LGALS3 (0.37)	LGALS3LGALS9LGALS7; LGALS7BLGALS1FGF1
Cellobiose SCHEMBL29630304	0.72	FGF1 (0.47)	LGALS3LGALS9LGALS7; LGALS7BLGALS1FGF1

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-7943595-B2	Polysaccharides with antithrombotic activity comprising at least one covalent bond with biotin or a biotin derivative	SANOFI-AVENTIS (FR)	2011-05-17	—	—	US	disclosed