SCHEMBL7322772

COC(=O)C(NC(=O)[C@H](NC(=O)[C@@H]1CCCC1C(O)C(Cc1ccccc1)NC(=O)[C@H](C)N(C(C)=O)C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	3/20	0.48

▸	CTSD	P07339	17/20	0.47

▸	CTSE	P14091	1/20	0.40

▸	PGC	P20142	1/20	0.40

▸	PSEN1	P49768	2/20	0.38

▸	PSEN2	P49810	2/20	0.38

▸	APH1B	Q8WW43	2/20	0.38

▸	NCSTN	Q92542	2/20	0.38

▸	APH1A	Q96BI3	2/20	0.38

▸	PSENEN	Q9NZ42	2/20	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	0.92	BACE1 (0.45)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7329246	0.92	BACE1 (0.45)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7322940	0.92	BACE1 (0.45)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL7322882	0.92	BACE1 (0.45)	BACE1CTSDPSEN1PSEN2APH1B
SCHEMBL9754554	0.91	BACE1 (0.55)	BACE1CTSD
SCHEMBL7331111	0.91	BACE1 (0.55)	BACE1CTSD
SCHEMBL7322824	0.91	BACE1 (0.55)	BACE1CTSD
SCHEMBL7320854	0.91	BACE1 (0.55)	BACE1CTSD
SCHEMBL7325334	0.87	BACE1 (0.56)	BACE1CTSDCTSEPGC
SCHEMBL7323930	0.87	BACE1 (0.46)	BACE1CTSDPSEN1PSEN2APH1B

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