SCHEMBL29904560

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

nearest known ligand 0.62

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MMP2	P08253	1/20	0.54

▸	GNPAT	O15228	1/20	0.53

▸	BACE1	P56817	9/20	0.53

▸	BACE2	Q9Y5Z0	2/20	0.53

▸	CTSD	P07339	1/20	0.53

▸	SMN1; SMN2	Q16637	1/20	0.51

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	OPRK1	P41145	1/20	0.51

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
SCHEMBL29496478	1.00	MMP2 (0.54)	MMP2GNPATBACE1BACE2CTSD
SCHEMBL29496483	1.00	MMP2 (0.54)	MMP2GNPATBACE1BACE2CTSD
SCHEMBL10379929	0.99	GNPAT (0.54)	MMP2GNPATBACE1BACE2CTSD
SCHEMBL10379927	0.99	GNPAT (0.54)	MMP2GNPATBACE1BACE2CTSD
SCHEMBL30974493	0.96	BACE1 (0.54)	MMP2GNPATBACE1BACE2CTSD
SCHEMBL29659768	0.94	OPRK1 (0.58)	BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL30616041	0.94	OPRK1 (0.58)	BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL2515525	0.94	CTSD (0.54)	MMP2BACE1BACE2CTSDOPRK1
SCHEMBL9488073	0.94	CTSD (0.54)	MMP2BACE1BACE2CTSDOPRK1
SCHEMBL2515519	0.94	CTSD (0.54)	MMP2BACE1BACE2CTSDOPRK1

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-113717247-B	Antibacterial polypeptide and application thereof	哈尔滨吉象隆生物技术有限公司	2022-07-08	—	—	CN	disclosed