SCHEMBL5756982

CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O[C@@H]2O[C@H](C(O)C(C)=O)[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]2(O)C(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	CYP2D6	P10635	1/20	0.42

▸	THRB	P10828	1/20	0.42

▸	HSD17B10	Q99714	1/20	0.42

▸	CA2	P00918	14/20	0.40

▸	CA12	O43570	13/20	0.39

▸	CA1	P00915	13/20	0.39

▸	CA9	Q16790	13/20	0.39

▸	CA14	Q9ULX7	5/20	0.39

▸	PRKCA	P17252	1/20	0.39

▸	AKT1	P31749	1/20	0.39

▸	PTK2	Q05397	1/20	0.39

▸	NR3C1	P04150	1/20	0.37

▸	FYN	P06241	1/20	0.37

▸	ADRA2A	P08913	1/20	0.37

▸	ADORA3	P0DMS8	1/20	0.37

▸	ADRA2B	P18089	1/20	0.37

▸	DRD4	P21917	1/20	0.37

▸	DRD3	P35462	1/20	0.37

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
SCHEMBL11108863	0.98	CYP2D6 (0.43)	CYP2D6THRBHSD17B10CA2CA12
SCHEMBL8143628	0.89	CA2 (0.41)	CYP2D6THRBHSD17B10CA2CA12
SCHEMBL11208480	0.86	MEN1 (0.40)	CA2CA12CA1CA9CA14
SCHEMBL2852651	0.84	CA2 (0.35)	CYP2D6THRBHSD17B10CA2CA12
SCHEMBL2852647	0.84	CA2 (0.35)	CYP2D6THRBHSD17B10CA2CA12
SCHEMBL5801560	0.84	PTPN1 (0.38)	CYP2D6CA2CA12CA1CA9
SCHEMBL1521692	0.81	CYP2D6 (0.42)	CYP2D6THRBHSD17B10CA2CA12
SCHEMBL5266305	0.81	CYP2D6 (0.47)	CYP2D6THRBHSD17B10CA2CA12
SCHEMBL10604482	0.78	—	—
SCHEMBL1521468	0.77	CYP2D6 (0.47)	CYP2D6THRBHSD17B10CA2CA12

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1644390-A2	REAGENTS AND METHODS FOR THE FORMATION OF DISULFIDE BONDS AND THE GLYCOSYLATION OF PROTEINS	ISIS INNOVATION LIMITED (GB)	2006-04-12	—	—	EP	disclosed
WO-2005000862-A2	REAGENTS AND METHODS FOR THE FORMATION OF DISULFIDE BONDS AND THE GLYCOSYLATION OF PROTEINS	ISIS INNOVATION LIMITED (GB)	2005-01-06	—	—	WO	disclosed