SCHEMBL6558612

CC(C)C[C@H](NC(=O)CNC(=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 0.50

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PSMB1	P20618	1/20	0.50

▸	CTSK	P43235	6/20	0.44

▸	CTSS	P25774	2/20	0.44

▸	CTSL	P07711	1/20	0.44

▸	CTSB	P07858	1/20	0.44

▸	REN	P00797	2/20	0.44

▸	MMP3	P08254	1/20	0.44

▸	CAPN1	P07384	1/20	0.42

▸	CAPN2	P17655	1/20	0.42

▸	PTPN1	P18031	1/20	0.42

▸	CYP3A4	P08684	1/20	0.42

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	0.92	PSMB1 (0.56)	PSMB1CTSKCTSSCTSLCTSB
SCHEMBL6559234	0.87	CTSK (0.50)	PSMB1CTSKCTSSCTSLCTSB
SCHEMBL6560838	0.87	CTSK (0.52)	PSMB1CTSKCTSSCTSLCTSB
SCHEMBL6560459	0.86	METAP2 (0.40)	PSMB1RENPTPN1
SCHEMBL6560880	0.85	PSMB1 (0.64)	PSMB1CTSKCTSSCTSLCTSB
SCHEMBL6559318	0.83	METAP2 (0.42)	PSMB1REN
SCHEMBL6558606	0.82	PSMB1 (0.43)	PSMB1CTSKCTSSCTSLREN
SCHEMBL6559289	0.81	METAP2 (0.41)	PSMB1REN
SCHEMBL6559351	0.80	METAP2 (0.45)	PSMB1
SCHEMBL6560879	0.80	METAP2 (0.40)	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