SCHEMBL31070712

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	DPP3	Q9NY33	5/20	0.69

▸	CAPN1	P07384	2/20	0.66

▸	CTSB	P07858	2/20	0.66

▸	NTSR2	O95665	1/20	0.56

▸	NTSR1	P30989	1/20	0.56

▸	SORT1	Q99523	1/20	0.56

▸	OPRM1	P35372	2/20	0.54

▸	KISS1R	Q969F8	4/20	0.54

▸	GNRHR	P30968	1/20	0.53

▸	ABCC2	Q92887	1/20	0.52

▸	CXCL8	P10145	2/20	0.52

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
SCHEMBL32681271	0.94	DPP3 (0.66)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL32681285	0.90	CAPN1 (0.63)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL30100215	0.87	DPP3 (0.61)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL32681277	0.87	CAPN1 (0.59)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL30288104	0.86	DPP3 (0.71)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL30413052	0.86	DPP3 (0.66)	DPP3CAPN1CTSBOPRM1KISS1R
SCHEMBL14665051	0.86	CAPN1 (0.60)	DPP3CAPN1CTSBOPRM1KISS1R
SCHEMBL31072081	0.85	DPP3 (0.68)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL30735734	0.85	CXCR4 (0.58)	DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL19787869	0.85	DPP3 (0.69)	DPP3CAPN1CTSBOPRM1

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-118620032-A	CD133 targeting peptide, anti-tumor nano-carrier and application thereof	郑州大学	2024-09-10	—	—	CN	disclosed