SCHEMBL31357907

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.57

▸	CTSB	P07858	2/20	0.57

▸	NTSR2	O95665	1/20	0.54

▸	NTSR1	P30989	1/20	0.54

▸	SORT1	Q99523	1/20	0.54

▸	ERAP2	Q6P179	1/20	0.53

▸	DPP3	Q9NY33	3/20	0.53

▸	CXCL8	P10145	6/20	0.52

▸	CXCR4	P61073	3/20	0.50

▸	ABCC2	Q92887	1/20	0.49

▸	GNRHR	P30968	1/20	0.49

▸	F13A1	P00488	1/20	0.49

▸	TGM2	P21980	1/20	0.49

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
SCHEMBL29437938	0.89	CAPN1 (0.61)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL30690083	0.88	CXCL8 (0.56)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL31499421	0.87	DPP3 (0.60)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL29437937	0.85	CAPN1 (0.63)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL30477480	0.85	CAPN1 (0.65)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL31247512	0.85	CAPN1 (0.57)	CAPN1CTSBCXCL8CXCR4
SCHEMBL23273239	0.84	NTSR2 (0.60)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL30690070	0.84	CAPN1 (0.57)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL30690087	0.84	CAPN1 (0.57)	CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL29380301	0.83	CAPN1 (0.58)	CAPN1CTSBNTSR2NTSR1SORT1

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
CN-119638783-A	Aminoglycoside phosphotransferase cyclic peptide inhibitors and uses thereof	上海交通大学	2025-03-18	—	—	CN	claimed
CN-119638783-A	Aminoglycoside phosphotransferase cyclic peptide inhibitors and uses thereof	上海交通大学	2025-03-18	—	—	CN	disclosed