SCHEMBL6558906

CC(C)C[C@H](NC(=O)[C@@H](N)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 0.46

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PSMB1	P20618	1/20	0.43

▸	METAP2	P50579	3/20	0.43

▸	METAP1	P53582	3/20	0.43

▸	BACE1	P56817	10/20	0.42

▸	BACE2	Q9Y5Z0	2/20	0.39

▸	SCN9A	Q15858	1/20	0.39

▸	CTSD	P07339	1/20	0.37

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
SCHEMBL6559229	0.94	METAP2 (0.45)	PSMB1METAP2METAP1BACE1BACE2
SCHEMBL6559296	0.92	BACE1 (0.44)	PSMB1METAP2METAP1BACE1BACE2
SCHEMBL6560842	0.92	METAP2 (0.43)	PSMB1METAP2METAP1BACE1BACE2
Hydrochloric Acid SCHEMBL6558938	0.91	METAP2 (0.43)	PSMB1METAP2METAP1BACE1BACE2
SCHEMBL6558918	0.91	METAP2 (0.47)	PSMB1METAP2METAP1BACE1BACE2
SCHEMBL6559351	0.91	METAP2 (0.45)	PSMB1METAP2METAP1BACE1BACE2
SCHEMBL6559733	0.91	METAP2 (0.48)	METAP2METAP1BACE1SCN9A
SCHEMBL6558490	0.90	BACE1 (0.49)	METAP2METAP1BACE1BACE2CTSD
SCHEMBL6558570	0.90	BACE1 (0.45)	METAP2METAP1BACE1BACE2CTSD
SCHEMBL6558594	0.90	METAP2 (0.45)	PSMB1METAP2METAP1BACE1BACE2

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