SCHEMBL7051012

CC(=O)OC[C@H]1OC(NC(=O)c2ccc(C(=O)NC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CA12	O43570	17/20	0.65

▸	CA1	P00915	17/20	0.65

▸	CA2	P00918	17/20	0.65

▸	CA9	Q16790	15/20	0.65

▸	CA14	Q9ULX7	12/20	0.65

▸	TSHR	P16473	1/20	0.56

▸	PRKCA	P17252	1/20	0.51

▸	AKT1	P31749	1/20	0.51

▸	PTK2	Q05397	1/20	0.51

▸	CA4	P22748	2/20	0.50

▸	CA5A	P35218	2/20	0.50

▸	CA7	P43166	2/20	0.50

▸	CA5B	Q9Y2D0	2/20	0.50

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
SCHEMBL7056168	0.94	TSHR (0.62)	CA12CA1CA2CA9CA14
SCHEMBL16492293	0.89	CA12 (0.55)	CA12CA1CA2CA9CA14
SCHEMBL16894675	0.84	CA12 (0.52)	CA12CA1CA2CA9CA14
SCHEMBL4617981	0.84	CA12 (0.52)	CA12CA1CA2CA9CA14
SCHEMBL4617983	0.84	CA12 (0.52)	CA12CA1CA2CA9CA14
SCHEMBL7151688	0.84	CA12 (0.67)	CA12CA1CA2CA9CA14
SCHEMBL13480225	0.84	CA12 (0.67)	CA12CA1CA2CA9CA14
SCHEMBL13163929	0.84	CA12 (0.67)	CA12CA1CA2CA9CA14
SCHEMBL3267262	0.84	CA12 (0.67)	CA12CA1CA2CA9CA14
SCHEMBL7151935	0.84	CA12 (0.67)	CA12CA1CA2CA9CA14

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
WO-2003018598-A2	MONOSACCHARIDE DERIVATIVES	UNIVERSITY COLLEGE DUBLIN (IE)	2003-03-06	—	—	WO	disclosed