SCHEMBL15417845

CC(=O)N[C@H]1C(O[C@@H]2OC(COC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)C2O[C@@H]2OC(C)C(OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)C(COC(C)=O)O[C@H]1O[C@@H]1C(OC(C)=O)[C@@H](O[C@H]2C(COC(C)=O)O[C@@H](O[C@@H]3C(COC(C)=O)O[C@@H](C)C(OC(C)=O)[C@H]3O)[C@@H](OC(C)=O)C2OC(C)=O)OC(COC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	LMNA	P02545	3/20	0.46

▸	KMT2A	Q03164	1/20	0.46

▸	POLB	P06746	2/20	0.46

▸	ALDH1A1	P00352	2/20	0.46

▸	CYP2D6	P10635	1/20	0.44

▸	THRB	P10828	1/20	0.44

▸	HSD17B10	Q99714	1/20	0.44

▸	CA12	O43570	11/20	0.42

▸	CA1	P00915	11/20	0.42

▸	CA2	P00918	11/20	0.42

▸	CA9	Q16790	11/20	0.42

▸	CA14	Q9ULX7	5/20	0.42

▸	CYP3A4	P08684	1/20	0.42

▸	MAPT	P10636	1/20	0.42

▸	CYP2C9	P11712	1/20	0.42

▸	CYP2C19	P33261	1/20	0.42

▸	KDM4E	B2RXH2	1/20	0.41

▸	PRKCA	P17252	1/20	0.40

▸	AKT1	P31749	1/20	0.40

▸	PTK2	Q05397	1/20	0.40

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
SCHEMBL12983536	0.95	LMNA (0.50)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL19731870	0.89	LMNA (0.48)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL12871553	0.88	LMNA (0.46)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL12885740	0.88	LMNA (0.46)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL13038846	0.88	LMNA (0.46)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL13038834	0.88	LMNA (0.46)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL13991347	0.87	CYP2D6 (0.48)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL21128360	0.87	CYP2D6 (0.48)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL19731895	0.87	LMNA (0.48)	LMNAKMT2APOLBALDH1A1CYP2D6
SCHEMBL13038847	0.85	LMNA (0.45)	LMNAKMT2APOLBALDH1A1CYP2D6

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-8623378-B2	Glycoconjugates, glycoamino acids, intermediates thereto, and uses thereof	SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US)	2014-01-07	—	—	US	disclosed