SCHEMBL7322940

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 0.45

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.45

▸	CTSD	P07339	8/20	0.43

▸	PSEN1	P49768	8/20	0.42

▸	PSEN2	P49810	8/20	0.42

▸	APH1B	Q8WW43	8/20	0.42

▸	NCSTN	Q92542	8/20	0.42

▸	APH1A	Q96BI3	8/20	0.42

▸	PSENEN	Q9NZ42	8/20	0.42

▸	KLK5	Q9Y337	1/20	0.39

▸	REN	P00797	1/20	0.38

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
SCHEMBL7322713	1.00	BACE1 (0.45)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7329246	1.00	BACE1 (0.45)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7322882	1.00	BACE1 (0.45)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7323930	0.95	BACE1 (0.46)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7324512	0.93	BACE1 (0.43)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7333063	0.93	BACE1 (0.43)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7322772	0.92	BACE1 (0.48)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7332698	0.89	CTSD (0.43)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7324941	0.88	BACE1 (0.39)	BACE1CTSDREN
SCHEMBL7332577	0.88	BACE1 (0.40)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-1990000399-A1	RETROVIRAL PROTEASE BINDING PEPTIDES	SMITHKLINE BECKMAN CORPORATION (US)	1990-01-25	—	—	WO	disclosed
EP-0352000-A2	Retroviral protease binding peptides	SMITHKLINE BEECHAM CORPORATION (US)	1990-01-24	—	—	EP	disclosed