SCHEMBL31307905

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	11/20	0.63

▸	CTSL	P07711	3/20	0.61

▸	CTSS	P25774	3/20	0.61

▸	CTSK	P43235	3/20	0.61

▸	CTSH	P09668	1/20	0.61

▸	GLP1R	P43220	3/20	0.57

▸	GCGR	P47871	3/20	0.57

▸	GIPR	P48546	1/20	0.57

▸	KEAP1	Q14145	1/20	0.56

▸	C5AR1	P21730	1/20	0.55

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
SCHEMBL31307907	0.96	CXCR4 (0.66)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31307939	0.96	CXCR4 (0.65)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31307904	0.93	CXCR4 (0.68)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30862329	0.87	CXCR4 (0.69)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL15987247	0.87	CXCR4 (0.81)	CXCR4GLP1RGCGRC5AR1
SCHEMBL29966029	0.85	CXCR4 (0.65)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29966075	0.85	CXCR4 (0.65)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29966255	0.85	CXCR4 (0.65)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29966276	0.85	CXCR4 (0.65)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29697161	0.85	CXCR4 (0.68)	CXCR4CTSLCTSSCTSKCTSH

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-118994357-A	Small peptide and application thereof in preparation of medicines for treating cancers	上海市第十人民医院	2024-11-22	—	—	CN	disclosed