SCHEMBL31307904

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

nearest known ligand 0.68

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	7/20	0.68

▸	KEAP1	Q14145	1/20	0.62

▸	GLP1R	P43220	4/20	0.61

▸	GCGR	P47871	3/20	0.61

▸	GIPR	P48546	1/20	0.61

▸	RAMP3	O60896	3/20	0.61

▸	CALCR	P30988	3/20	0.61

▸	CTSL	P07711	3/20	0.61

▸	CTSS	P25774	3/20	0.61

▸	CTSK	P43235	3/20	0.61

▸	CTSH	P09668	1/20	0.61

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

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
SCHEMBL31307939	0.97	CXCR4 (0.65)	CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL31307907	0.95	CXCR4 (0.66)	CXCR4KEAP1CTSLCTSSCTSK
SCHEMBL31307905	0.93	CXCR4 (0.63)	CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL29655872	0.90	CXCR4 (0.67)	CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL29949915	0.89	KEAP1 (0.69)	CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL30607317	0.88	KEAP1 (0.67)	CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL30432159	0.88	C5AR1 (0.73)	CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL31182493	0.88	GLP1R (0.67)	CXCR4KEAP1GLP1RGCGRCALCR
SCHEMBL30561567	0.88	C5AR1 (0.69)	CXCR4KEAP1GLP1RGCGRGIPR
SCHEMBL30429341	0.88	GLP1R (0.68)	CXCR4KEAP1GLP1RGCGRGIPR

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