SCHEMBL8532173

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

nearest known ligand 0.65

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KLK5	Q9Y337	1/20	0.61

▸	BACE1	P56817	3/20	0.58

▸	PSEN1	P49768	3/20	0.57

▸	PSEN2	P49810	3/20	0.57

▸	APH1B	Q8WW43	3/20	0.57

▸	NCSTN	Q92542	3/20	0.57

▸	APH1A	Q96BI3	3/20	0.57

▸	PSENEN	Q9NZ42	3/20	0.57

▸	CTSD	P07339	2/20	0.57

▸	REN	P00797	2/20	0.55

▸	CA2	P00918	1/20	0.54

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
SCHEMBL8531207	1.00	KLK5 (0.61)	KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL15095216	0.94	CTSD (0.67)	KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL6449655	0.93	CTSD (0.66)	KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL7270278	0.91	CTSD (0.67)	KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL6447745	0.90	CTSD (0.66)	KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL7430958	0.87	BACE1 (0.61)	KLK5BACE1CTSD
SCHEMBL8262677	0.87	CTSD (0.60)	KLK5BACE1PSEN1PSEN2APH1B
SCHEMBL6444857	0.87	KLK5 (0.63)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6445261	0.87	KLK5 (0.63)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8532202	0.87	KLK5 (0.63)	KLK5PSEN1PSEN2APH1BNCSTN

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
US-5712417-A	Inhibitors of retroviral proteases	ABBOTT LABORATORIES (US)	1998-01-27	—	—	US	disclosed
EP-0428849-A2	Retroviral protease inhibitors	HOECHST AKTIENGESELLSCHAFT (DE)	1991-05-29	—	—	EP	disclosed