SCHEMBL7295474

CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1)[C@]1(C)O[C@H](CN)[C@@H](O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KLK5	Q9Y337	1/20	0.41

▸	PSEN1	P49768	8/20	0.40

▸	PSEN2	P49810	8/20	0.40

▸	APH1B	Q8WW43	8/20	0.40

▸	NCSTN	Q92542	8/20	0.40

▸	APH1A	Q96BI3	8/20	0.40

▸	PSENEN	Q9NZ42	8/20	0.40

▸	APP	P05067	1/20	0.40

▸	KMT2A	Q03164	2/20	0.37

▸	MEN1	O00255	1/20	0.37

▸	ATM	Q13315	1/20	0.37

▸	BACE1	P56817	2/20	0.36

▸	REN	P00797	1/20	0.36

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
SCHEMBL7300835	0.75	KLK5 (0.47)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7303392	0.75	KLK5 (0.46)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7293840	0.73	KLK5 (0.46)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL10444524	0.73	PSEN1 (0.46)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7292239	0.71	PSEN1 (0.40)	PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7300241	0.71	PSEN1 (0.55)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL2059396	0.71	KLK5 (0.58)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7299783	0.69	PSEN1 (0.59)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7301022	0.69	PSEN1 (0.52)	KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7293225	0.69	PSEN1 (0.52)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0337714-A2	HIV protease inhibitors useful for the treatment of aids	MERCK & CO. INC. (US)	1989-10-18	—	—	EP	disclosed