SCHEMBL7322778

COC(=O)C(NC(=O)C(NC(=O)C(F)(F)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)COCc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PSEN1	P49768	8/20	0.44

▸	PSEN2	P49810	8/20	0.44

▸	APH1B	Q8WW43	8/20	0.44

▸	NCSTN	Q92542	8/20	0.44

▸	APH1A	Q96BI3	8/20	0.44

▸	PSENEN	Q9NZ42	8/20	0.44

▸	CTSD	P07339	6/20	0.44

▸	KLK5	Q9Y337	1/20	0.42

▸	REN	P00797	1/20	0.41

▸	BACE1	P56817	2/20	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
SCHEMBL10378689	0.95	PSEN1 (0.45)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7330477	0.88	PSEN1 (0.47)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329306	0.88	PSEN1 (0.47)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7321512	0.82	CTSD (0.43)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329749	0.80	CTSD (0.54)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7322916	0.80	CTSD (0.54)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7331832	0.80	CTSS (0.43)	KLK5REN
SCHEMBL7333063	0.78	BACE1 (0.43)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7324512	0.78	BACE1 (0.43)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7329133	0.78	PSEN1 (0.58)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0352000-A2	Retroviral protease binding peptides	SMITHKLINE BEECHAM CORPORATION (US)	1990-01-24	—	—	EP	disclosed