SCHEMBL31482415

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

nearest known ligand 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	8/20	0.56

▸	C5AR1	P21730	1/20	0.54

▸	CXCL8	P10145	5/20	0.52

▸	EPHA2	P29317	2/20	0.52

▸	IL23R	Q5VWK5	1/20	0.51

▸	DPP3	Q9NY33	1/20	0.51

▸	MAPK8	P45983	1/20	0.50

▸	MAPK9	P45984	1/20	0.50

▸	MAPK10	P53779	1/20	0.50

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
SCHEMBL29546449	0.90	C5AR1 (0.56)	CXCR4C5AR1CXCL8IL23RDPP3
SCHEMBL30504385	0.90	DPP3 (0.60)	DPP3
SCHEMBL30285072	0.89	CXCR4 (0.60)	CXCR4C5AR1CXCL8EPHA2IL23R
SCHEMBL29476509	0.88	KISS1R (0.55)	CXCR4C5AR1IL23RDPP3
SCHEMBL29476405	0.88	KISS1R (0.55)	CXCR4C5AR1IL23RDPP3
SCHEMBL29978571	0.88	CXCR4 (0.59)	CXCR4
SCHEMBL30284926	0.87	CXCR4 (0.59)	CXCR4C5AR1CXCL8EPHA2IL23R
SCHEMBL29476615	0.87	DPP3 (0.55)	CXCR4C5AR1IL23RDPP3
SCHEMBL29476485	0.87	DPP3 (0.55)	CXCR4C5AR1IL23RDPP3
SCHEMBL31433225	0.86	CXCR4 (0.65)	CXCR4IL23RMAPK8MAPK9MAPK10

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-119823230-A	Bran polypeptide GR-12 with immunoregulation function and application thereof	山西大学	2025-04-15	—	—	CN	disclosed