SCHEMBL12606372

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(COC(C)=O)OC(OC(=N)C(Cl)(Cl)Cl)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](COC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)[C@H](OC)C1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PRKCA	P17252	1/20	0.45

▸	AKT1	P31749	1/20	0.45

▸	PTK2	Q05397	1/20	0.45

▸	PAX8	Q06710	1/20	0.42

▸	P4HB	P07237	1/20	0.40

▸	PDIA4	P13667	1/20	0.40

▸	PDIA3	P30101	1/20	0.40

▸	TSHR	P16473	1/20	0.39

▸	CA12	O43570	12/20	0.39

▸	CA1	P00915	12/20	0.39

▸	CA2	P00918	12/20	0.39

▸	CA9	Q16790	12/20	0.39

▸	CA14	Q9ULX7	4/20	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
SCHEMBL12606360	0.88	PRKCA (0.49)	PRKCAAKT1PTK2PAX8P4HB
SCHEMBL12606380	0.88	PRKCA (0.49)	PRKCAAKT1PTK2PAX8P4HB
SCHEMBL12606374	0.88	PRKCA (0.49)	PRKCAAKT1PTK2PAX8P4HB
SCHEMBL12551969	0.86	PRKCA (0.36)	PRKCAAKT1PTK2PAX8P4HB
SCHEMBL12606364	0.85	PRKCA (0.46)	PRKCAAKT1PTK2PAX8P4HB
SCHEMBL21749226	0.85	P4HB (0.39)	PRKCAAKT1PTK2PAX8P4HB
SCHEMBL13541651	0.79	CYP2D6 (0.54)	PRKCAAKT1PTK2TSHRCA12
SCHEMBL4970167	0.79	CYP2D6 (0.54)	PRKCAAKT1PTK2TSHRCA12
SCHEMBL20835286	0.79	CYP2D6 (0.54)	PRKCAAKT1PTK2TSHRCA12
SCHEMBL13521707	0.79	CYP2D6 (0.54)	PRKCAAKT1PTK2TSHRCA12

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