SCHEMBL7324941

COC(=O)C(NC(=O)[C@H](NC(=O)[C@@H]1CCCC1C(O)C(CC1CCCCC1)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	6/20	0.39

▸	CTSD	P07339	4/20	0.39

▸	REN	P00797	4/20	0.32

▸	TSHR	P16473	1/20	0.31

▸	PSMB5	P28074	1/20	0.30

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
SCHEMBL7322882	0.88	BACE1 (0.45)	BACE1CTSDREN
SCHEMBL7329246	0.88	BACE1 (0.45)	BACE1CTSDREN
SCHEMBL7322940	0.88	BACE1 (0.45)	BACE1CTSDREN
SCHEMBL7322713	0.88	BACE1 (0.45)	BACE1CTSDREN
SCHEMBL7331769	0.87	BACE1 (0.48)	BACE1CTSDRENTSHRPSMB5
SCHEMBL7323598	0.87	BACE1 (0.48)	BACE1CTSDRENTSHRPSMB5
SCHEMBL7323930	0.83	BACE1 (0.46)	BACE1CTSDREN
SCHEMBL7326963	0.82	CTSS (0.40)	BACE1CTSDRENTSHRPSMB5
SCHEMBL7333063	0.81	BACE1 (0.43)	BACE1CTSDREN
SCHEMBL7324512	0.81	BACE1 (0.43)	BACE1CTSDREN

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-0352000-A2	Retroviral protease binding peptides	SMITHKLINE BEECHAM CORPORATION (US)	1990-01-24	—	—	EP	disclosed