SCHEMBL7787115

CCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)N[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	METAP2	P50579	3/20	0.44

▸	METAP1	P53582	3/20	0.44

▸	BACE1	P56817	12/20	0.40

▸	CTSD	P07339	2/20	0.37

▸	GPR88	Q9GZN0	3/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.35

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
SCHEMBL7785830	0.94	METAP2 (0.44)	METAP2METAP1GPR88SMN1; SMN2
SCHEMBL7783697	0.93	METAP2 (0.43)	METAP2METAP1BACE1GPR88SMN1; SMN2
SCHEMBL7741760	0.93	METAP2 (0.47)	METAP2METAP1GPR88SMN1; SMN2
SCHEMBL6559017	0.93	METAP2 (0.47)	METAP2METAP1GPR88SMN1; SMN2
SCHEMBL7784068	0.91	METAP2 (0.44)	METAP2METAP1BACE1CTSD
Hydrochloric Acid SCHEMBL6560796	0.90	METAP2 (0.43)	METAP2METAP1BACE1CTSDGPR88
SCHEMBL6560780	0.89	METAP2 (0.40)	METAP2METAP1GPR88SMN1; SMN2
SCHEMBL7783699	0.88	METAP2 (0.44)	METAP2METAP1GPR88SMN1; SMN2
SCHEMBL7784103	0.87	METAP2 (0.42)	METAP2METAP1BACE1CTSDGPR88
SCHEMBL7784098	0.87	METAP2 (0.42)	METAP2METAP1BACE1CTSDGPR88

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-1140979-A1	POLYOL COMPOUNDS, THEIR PRODUCTION AND USE	Takeda Chemical Industries, Ltd. (JP)	2001-10-10	—	—	EP	disclosed
WO-2000040599-A1	POLYOL COMPOUNDS, THEIR PRODUCTION AND USE	TAKEDA CHEMICAL INDUSTRIES, LTD. (JP)	2000-07-13	—	—	WO	disclosed