SCHEMBL30576930

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.61

▸	GLP1R	P43220	13/20	0.59

▸	CALCR	P30988	3/20	0.59

▸	VIPR2	P41587	1/20	0.55

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	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
SCHEMBL29595551	0.91	CALCR (0.68)	KEAP1GLP1RCALCR
SCHEMBL29649215	0.91	CALCR (0.64)	GLP1RCALCRVIPR2
SCHEMBL30495620	0.91	GLP1R (0.62)	GLP1RCALCRVIPR2
SCHEMBL29416079	0.90	KEAP1 (0.58)	KEAP1GLP1RCALCRVIPR2
SCHEMBL30527889	0.90	KEAP1 (0.58)	KEAP1GLP1RCALCRVIPR2
SCHEMBL31182938	0.90	GLP1R (0.62)	KEAP1GLP1RCALCRECE1MUS81
SCHEMBL30792431	0.89	CALCR (0.63)	KEAP1GLP1RCALCR
SCHEMBL30658382	0.89	CALCR (0.67)	KEAP1GLP1RCALCR
SCHEMBL31182706	0.89	VIPR2 (0.56)	KEAP1GLP1RCALCRVIPR2
SCHEMBL8427711	0.88	KEAP1 (0.56)	KEAP1GLP1RVIPR2

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