SCHEMBL6560838

CC(C)C[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)OCc1ccccc1)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 0.52

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CTSK	P43235	11/20	0.52

▸	CTSL	P07711	5/20	0.52

▸	CTSS	P25774	4/20	0.52

▸	PSMB1	P20618	1/20	0.51

▸	CTSB	P07858	1/20	0.46

▸	CAPN1	P07384	3/20	0.46

▸	REN	P00797	1/20	0.45

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
SCHEMBL6558995	0.94	PSMB1 (0.56)	CTSKCTSLCTSSPSMB1CTSB
SCHEMBL6559234	0.90	CTSK (0.50)	CTSKCTSLCTSSPSMB1CTSB
SCHEMBL6558606	0.89	PSMB1 (0.43)	CTSKCTSLCTSSPSMB1REN
SCHEMBL6560880	0.88	PSMB1 (0.64)	CTSKCTSLCTSSPSMB1CTSB
SCHEMBL6558612	0.87	PSMB1 (0.50)	CTSKCTSLCTSSPSMB1CTSB
SCHEMBL6559026	0.83	CTSK (0.48)	CTSKCTSLCTSSPSMB1CTSB
SCHEMBL6559351	0.81	METAP2 (0.45)	PSMB1
SCHEMBL6559243	0.81	CTSK (0.62)	CTSKCTSLCTSSPSMB1CTSB
SCHEMBL6558570	0.81	BACE1 (0.45)	REN
SCHEMBL6558594	0.81	METAP2 (0.45)	PSMB1REN

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-0998488-B1	POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY	TAKEDA CHEMICAL INDUSTRIES LTD (JP)	2004-03-17	—	—	EP	disclosed
US-6423869-B1	BACTERICIDES, ANTIULCER AGENTS	TAKEDA CHEMICAL INDUSTRIES, INC. (JP)	2002-07-23	—	—	US	disclosed