SCHEMBL6558570

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)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 0.49

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	7/20	0.45

▸	BACE2	Q9Y5Z0	2/20	0.45

▸	REN	P00797	2/20	0.44

▸	CTSD	P07339	1/20	0.43

▸	LTA4H	P09960	1/20	0.42

▸	METAP2	P50579	2/20	0.42

▸	METAP1	P53582	2/20	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
SCHEMBL6559229	0.93	METAP2 (0.45)	BACE1BACE2CTSDMETAP2METAP1
SCHEMBL6560842	0.91	METAP2 (0.43)	BACE1BACE2CTSDMETAP2METAP1
SCHEMBL6559305	0.91	METAP2 (0.43)	LTA4HMETAP2METAP1
SCHEMBL6558906	0.90	PSMB1 (0.43)	BACE1BACE2CTSDMETAP2METAP1
SCHEMBL6558918	0.90	METAP2 (0.47)	BACE1BACE2RENCTSDMETAP2
Hydrochloric Acid SCHEMBL6558938	0.90	METAP2 (0.43)	BACE1BACE2RENCTSDMETAP2
SCHEMBL6559351	0.90	METAP2 (0.45)	BACE1BACE2CTSDMETAP2METAP1
SCHEMBL6559898	0.90	BACE1 (0.41)	BACE1BACE2METAP2METAP1
SCHEMBL6558490	0.90	BACE1 (0.49)	BACE1BACE2CTSDMETAP2METAP1
SCHEMBL6558606	0.89	PSMB1 (0.43)	BACE1BACE2RENCTSDMETAP2

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