SCHEMBL9848628

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

nearest known ligand 0.59

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	14/20	0.59

▸	BACE2	Q9Y5Z0	4/20	0.59

▸	CTSD	P07339	2/20	0.58

▸	LTA4H	P09960	1/20	0.53

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
SCHEMBL30052981	0.88	LTA4H (0.66)	BACE1BACE2CTSDLTA4H
SCHEMBL29798307	0.86	BACE1 (0.67)	BACE1BACE2CTSDLTA4H
SCHEMBL29499677	0.86	BACE1 (0.68)	BACE1BACE2CTSDLTA4H
SCHEMBL29415207	0.86	BACE1 (0.62)	BACE1BACE2CTSD
SCHEMBL29500570	0.86	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL30890858	0.86	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL30368328	0.85	LTA4H (0.61)	BACE1BACE2CTSDLTA4H
SCHEMBL31004379	0.84	LTA4H (0.61)	BACE1BACE2LTA4H
SCHEMBL30833336	0.84	LTA4H (0.61)	BACE1BACE2LTA4H
SCHEMBL30833335	0.84	LTA4H (0.61)	BACE1BACE2LTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0438873-A1	Inhibitor of ribonucleotide reductase of herpes viruses	MERCK & CO. INC. (US)	1991-07-31	—	—	EP	disclosed