SCHEMBL30576953

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.60

▸	CXCR4	P61073	2/20	0.59

▸	CXCL8	P10145	9/20	0.59

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	GLP1R	P43220	4/20	0.56

▸	CALCR	P30988	2/20	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
SCHEMBL30517763	0.90	KEAP1 (0.57)	KEAP1CXCR4CXCL8NPY1RNPY2R
SCHEMBL31182795	0.90	CXCL8 (0.63)	KEAP1CXCL8NPY1RNPY2RNPY4R
SCHEMBL30262240	0.89	NPY1R (0.61)	KEAP1CXCR4CXCL8NPY1RNPY2R
SCHEMBL31182954	0.89	KEAP1 (0.67)	KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31694492	0.89	KEAP1 (0.70)	KEAP1CXCR4CXCL8NPY1RNPY2R
SCHEMBL31182989	0.88	NPY1R (0.67)	CXCL8NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182988	0.88	NPY2R (0.71)	KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31174219	0.87	CXCR4 (0.58)	KEAP1CXCR4CXCL8NPY1RNPY2R
SCHEMBL31182766	0.87	PTH1R (0.73)	KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31183001	0.87	NPY1R (0.67)	KEAP1CXCR4NPY1RNPY2RNPY4R

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-116621961-A	Gene ZmAPC4 for regulating starch content in corn kernel, expression product, SNP marker, excellent haplotype and application	河南农业大学	2023-08-22	—	—	CN	disclosed