SCHEMBL7325223

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=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 9)

	gene	UniProt	supporting neighbours	confidence
▸	CTSD	P07339	7/20	0.45

▸	PSENEN	Q9NZ42	9/20	0.43

▸	REN	P00797	1/20	0.43

▸	PSEN1	P49768	8/20	0.41

▸	PSEN2	P49810	8/20	0.41

▸	APH1B	Q8WW43	8/20	0.41

▸	NCSTN	Q92542	8/20	0.41

▸	APH1A	Q96BI3	8/20	0.41

▸	CMA1	P23946	3/20	0.40

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
SCHEMBL7321512	0.92	CTSD (0.43)	CTSDPSENENRENPSEN1PSEN2
SCHEMBL7329306	0.87	PSEN1 (0.47)	CTSDPSENENRENPSEN1PSEN2
SCHEMBL7330477	0.87	PSEN1 (0.47)	CTSDPSENENRENPSEN1PSEN2
SCHEMBL7330506	0.87	CTSD (0.49)	CTSDPSENENREN
SCHEMBL7332698	0.84	CTSD (0.43)	CTSDPSENENPSEN1PSEN2APH1B
SCHEMBL10378689	0.79	PSEN1 (0.45)	CTSDPSENENRENPSEN1PSEN2
SCHEMBL7322882	0.78	BACE1 (0.45)	CTSDPSENENRENPSEN1PSEN2
SCHEMBL7322940	0.78	BACE1 (0.45)	CTSDPSENENRENPSEN1PSEN2
SCHEMBL7329246	0.78	BACE1 (0.45)	CTSDPSENENRENPSEN1PSEN2
SCHEMBL7322713	0.78	BACE1 (0.45)	CTSDPSENENRENPSEN1PSEN2

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