SCHEMBL30690108

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

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.59

▸	CTSB	P07858	2/20	0.59

▸	CXCL8	P10145	10/20	0.55

▸	DPP3	Q9NY33	2/20	0.51

▸	NTSR1	P30989	2/20	0.50

▸	ERAP2	Q6P179	1/20	0.49

▸	NTSR2	O95665	1/20	0.49

▸	SORT1	Q99523	1/20	0.49

▸	CXCR4	P61073	2/20	0.48

▸	MEN1	O00255	1/20	0.48

▸	KMT2A	Q03164	1/20	0.48

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
SCHEMBL30690107	1.00	CAPN1 (0.59)	CAPN1CTSBCXCL8DPP3NTSR1
SCHEMBL30690087	0.98	CAPN1 (0.57)	CAPN1CTSBCXCL8DPP3NTSR1
SCHEMBL30690109	0.97	CXCL8 (0.58)	CAPN1CTSBCXCL8DPP3NTSR1
SCHEMBL30690070	0.97	CAPN1 (0.57)	CAPN1CTSBCXCL8DPP3NTSR1
SCHEMBL31247508	0.97	CXCL8 (0.55)	CAPN1CTSBCXCL8DPP3MEN1
SCHEMBL31247492	0.96	CAPN1 (0.63)	CAPN1CTSBCXCL8CXCR4
SCHEMBL31247447	0.96	CAPN1 (0.63)	CAPN1CTSBCXCL8CXCR4
SCHEMBL30690062	0.96	CAPN1 (0.59)	CAPN1CTSBCXCL8DPP3NTSR1
SCHEMBL30690100	0.95	CXCL8 (0.56)	CAPN1CTSBCXCL8CXCR4
SCHEMBL30690095	0.95	CAPN1 (0.54)	CAPN1CTSBCXCL8DPP3NTSR1

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-117247427-B	Peptide compound, composition and application thereof	杭州禾泰健宇生物科技有限公司	2024-08-23	—	—	CN	disclosed