SCHEMBL7330477

COC(=O)C(NC(=O)C(NC(=O)C(F)(F)[C@H](O)[C@H](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 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PSEN1	P49768	9/20	0.47

▸	PSEN2	P49810	9/20	0.47

▸	APH1B	Q8WW43	9/20	0.47

▸	NCSTN	Q92542	9/20	0.47

▸	APH1A	Q96BI3	9/20	0.47

▸	PSENEN	Q9NZ42	9/20	0.47

▸	CTSD	P07339	9/20	0.46

▸	REN	P00797	2/20	0.42

▸	KLK5	Q9Y337	1/20	0.42

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
SCHEMBL7329306	1.00	PSEN1 (0.47)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10378689	0.92	PSEN1 (0.45)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322778	0.88	PSEN1 (0.44)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7325223	0.87	CTSD (0.45)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322916	0.87	CTSD (0.54)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329749	0.87	CTSD (0.54)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7332321	0.87	REN (0.42)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329137	0.84	PSEN1 (0.37)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7330454	0.84	PSEN1 (0.40)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322940	0.82	BACE1 (0.45)	PSEN1PSEN2APH1BNCSTNAPH1A

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