SCHEMBL9848709

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	RRM1	P23921	7/20	0.54

▸	RRM2	P31350	7/20	0.54

▸	RRM2B	Q7LG56	7/20	0.54

▸	BACE1	P56817	10/20	0.46

▸	BACE2	Q9Y5Z0	2/20	0.44

▸	CTSD	P07339	2/20	0.43

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
SCHEMBL9848614	0.87	OPRD1 (0.53)	BACE1BACE2CTSD
SCHEMBL30837136	0.85	BACE1 (0.53)	BACE1BACE2CTSD
SCHEMBL31666009	0.84	BACE1 (0.50)	BACE1BACE2CTSD
SCHEMBL30814697	0.84	BACE1 (0.48)	BACE1BACE2CTSD
SCHEMBL30876809	0.83	BACE1 (0.52)	BACE1BACE2CTSD
SCHEMBL9848632	0.81	BACE1 (0.48)	BACE1BACE2CTSD
SCHEMBL29880484	0.80	BACE1 (0.48)	BACE1BACE2CTSD
SCHEMBL29592701	0.80	MME (0.50)	RRM1RRM2RRM2BBACE1BACE2
SCHEMBL29630515	0.80	MME (0.50)	RRM1RRM2RRM2BBACE1BACE2
SCHEMBL31361486	0.79	BACE1 (0.62)	BACE1BACE2CTSD

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