SCHEMBL7326620

CC(C)C(NC(=O)[C@](C(=O)C(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)N(C)C(=O)C1CCCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	4/20	0.39

▸	CMA1	P23946	10/20	0.37

▸	ATM	Q13315	2/20	0.37

▸	MEN1	O00255	1/20	0.37

▸	BACE1	P56817	2/20	0.35

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
SCHEMBL7323512	0.89	CDYL2 (0.40)	KMT2ACMA1ATMMEN1BACE1
SCHEMBL7325223	0.77	CTSD (0.45)	CMA1
SCHEMBL7332698	0.75	CTSD (0.43)	KMT2AATMMEN1BACE1
SCHEMBL7330454	0.75	PSEN1 (0.40)	KMT2ABACE1
SCHEMBL7329306	0.70	PSEN1 (0.47)	—
SCHEMBL7330477	0.70	PSEN1 (0.47)	—
SCHEMBL7321512	0.70	CTSD (0.43)	CMA1
SCHEMBL7320388	0.70	POLB (0.43)	KMT2AMEN1BACE1
SCHEMBL7322940	0.70	BACE1 (0.45)	BACE1
SCHEMBL7322882	0.70	BACE1 (0.45)	BACE1

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