SCHEMBL7329186

CC(C)[C@H](NC(=O)[C@@H](NC(=O)C1CCCC1C(O)C(Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.58

▸	CTSD	P07339	3/20	0.49

▸	CALCRL	Q16602	2/20	0.43

▸	CTSB	P07858	2/20	0.42

▸	CDYL2	Q8N8U2	1/20	0.41

▸	CDYL	Q9Y232	1/20	0.41

▸	BACE2	Q9Y5Z0	1/20	0.41

▸	HRH1	P35367	1/20	0.41

▸	CTSE	P14091	1/20	0.41

▸	PGC	P20142	1/20	0.41

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
SCHEMBL10378717	1.00	BACE1 (0.58)	BACE1CTSDCALCRLCTSBCDYL2
SCHEMBL7325334	0.93	BACE1 (0.56)	BACE1CTSDCALCRLHRH1CTSE
SCHEMBL7331111	0.92	BACE1 (0.55)	BACE1CTSD
SCHEMBL7320854	0.92	BACE1 (0.55)	BACE1CTSD
SCHEMBL7322824	0.92	BACE1 (0.55)	BACE1CTSD
SCHEMBL9754554	0.92	BACE1 (0.55)	BACE1CTSD
SCHEMBL10376858	0.85	BACE1 (0.52)	BACE1CALCRLCTSBCDYL2CDYL
SCHEMBL7322772	0.83	BACE1 (0.48)	BACE1CTSDCTSEPGC
SCHEMBL7323930	0.80	BACE1 (0.46)	BACE1CTSD
SCHEMBL7322940	0.80	BACE1 (0.45)	BACE1CTSD

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