SCHEMBL13814376

CCS[C@@H]1OC(COC(C)=O)C(O)[C@H](O[C@@H]2OC(COC(C)=O)C(O[C@@H]3OC(COC(C)=O)C(OC(C)=O)[C@H](OC(C)=O)C3OC3OC(C)[C@H](OC(C)=O)C(OC(C)=O)[C@H]3OC(C)=O)[C@H](O[C@@H]3OC(C)C(OC(C)=O)[C@H](OC(C)=O)C3OC(C)=O)C2NC(C)=O)C1OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

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

▸	KMT2A	Q03164	1/20	0.46

▸	CA12	O43570	10/20	0.43

▸	CA1	P00915	10/20	0.43

▸	CA2	P00918	10/20	0.43

▸	CA9	Q16790	10/20	0.43

▸	POLB	P06746	2/20	0.40

▸	ALDH1A1	P00352	1/20	0.40

▸	PAX8	Q06710	1/20	0.39

▸	PRKCA	P17252	1/20	0.39

▸	AKT1	P31749	1/20	0.39

▸	PTK2	Q05397	1/20	0.39

▸	PKM	P14618	1/20	0.39

▸	CYP3A4	P08684	1/20	0.39

▸	MAPT	P10636	1/20	0.39

▸	CYP2C9	P11712	1/20	0.39

▸	CYP2C19	P33261	1/20	0.39

▸	TSHR	P16473	1/20	0.38

▸	CA14	Q9ULX7	4/20	0.38

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
SCHEMBL16084696	0.88	LMNA (0.54)	LMNAKMT2ACA12CA1CA2
SCHEMBL12871568	0.84	LMNA (0.50)	LMNAKMT2ACA12CA1CA2
SCHEMBL18671357	0.81	TSHR (0.47)	LMNAKMT2ACA12CA1CA2
SCHEMBL12847756	0.81	ANTXR2 (0.41)	KMT2ACA12CA1CA2CA9
SCHEMBL16360859	0.80	LMNA (0.50)	LMNAKMT2ACA12CA1CA2
SCHEMBL13362445	0.79	ANTXR2 (0.48)	KMT2ACA12CA1CA2CA9
SCHEMBL12848099	0.79	ANTXR2 (0.48)	KMT2ACA12CA1CA2CA9
SCHEMBL12983536	0.78	LMNA (0.50)	LMNAKMT2ACA12CA1CA2
SCHEMBL15417845	0.77	LMNA (0.46)	LMNAKMT2ACA12CA1CA2
SCHEMBL16917907	0.76	LGALS9 (0.45)	KMT2ACA12CA1CA2CA9

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-7550146-B2	Glycopeptide conjugates and uses thereof	SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US)	2009-06-23	—	—	US	disclosed