SCHEMBL31247542

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)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(N)=O

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.60

▸	CTSB	P07858	2/20	0.60

▸	CXCL8	P10145	10/20	0.53

▸	CXCR4	P61073	3/20	0.49

▸	KISS1R	Q969F8	3/20	0.49

▸	CTSL	P07711	1/20	0.49

▸	CTSH	P09668	1/20	0.49

▸	CTSS	P25774	1/20	0.49

▸	CTSK	P43235	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
SCHEMBL31247466	0.99	CAPN1 (0.60)	CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL31247492	0.98	CAPN1 (0.63)	CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL31247447	0.98	CAPN1 (0.63)	CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL31247480	0.97	CAPN1 (0.58)	CAPN1CTSBCXCL8KISS1RCTSL
SCHEMBL30690087	0.96	CAPN1 (0.57)	CAPN1CTSBCXCL8CXCR4
SCHEMBL30690070	0.96	CAPN1 (0.57)	CAPN1CTSBCXCL8CXCR4
SCHEMBL31247512	0.96	CAPN1 (0.57)	CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL31247304	0.95	CAPN1 (0.60)	CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL31247348	0.95	CAPN1 (0.57)	CAPN1CTSBCXCL8CXCR4KISS1R
SCHEMBL30690108	0.94	CAPN1 (0.59)	CAPN1CTSBCXCL8CXCR4

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
WO-2024235070-A1	PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF	杭州禾泰健宇生物科技有限公司	2024-11-21	—	—	WO	claimed
WO-2024235070-A1	PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF	杭州禾泰健宇生物科技有限公司	2024-11-21	—	—	WO	disclosed