SCHEMBL29808247

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	17/20	0.48

▸	PTPN1	P18031	2/20	0.43

▸	CTSD	P07339	2/20	0.43

▸	BACE2	Q9Y5Z0	2/20	0.42

▸	ERAP2	Q6P179	1/20	0.41

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
SCHEMBL30442348	0.95	BACE1 (0.49)	BACE1CTSDBACE2ERAP2
SCHEMBL7599777	0.94	ERAP2 (0.44)	BACE1PTPN1CTSDBACE2ERAP2
SCHEMBL7599791	0.94	ERAP2 (0.44)	BACE1PTPN1CTSDBACE2ERAP2
SCHEMBL29833296	0.93	PTPN1 (0.46)	BACE1PTPN1CTSDBACE2ERAP2
SCHEMBL30974137	0.92	BACE1 (0.49)	BACE1PTPN1CTSDBACE2ERAP2
SCHEMBL30082002	0.92	ERAP2 (0.43)	BACE1PTPN1CTSDBACE2ERAP2
SCHEMBL29808185	0.92	NPY4R (0.48)	BACE1
SCHEMBL29777920	0.92	NPY4R (0.48)	BACE1
SCHEMBL29833409	0.91	ERAP2 (0.44)	BACE1PTPN1CTSDBACE2ERAP2
SCHEMBL31073567	0.90	BACE1 (0.42)	BACE1CTSD

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
CN-114796123-A	Self-assembled peptide nano preparation with anti-hepatic fibrosis function and preparation method and application thereof	安徽医科大学	2022-07-29	—	—	CN	claimed