SCHEMBL30576992

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.64

▸	KEAP1	Q14145	1/20	0.62

▸	MAOB	P27338	1/20	0.61

▸	KDM5A	P29375	1/20	0.61

▸	KDM1B	Q8NB78	1/20	0.61

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	TFPI	P10646	4/20	0.58

▸	RAMP3	O60896	1/20	0.57

▸	CALCR	P30988	1/20	0.57

▸	EPHA2	P29317	1/20	0.57

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
SCHEMBL30262061	0.91	KEAP1 (0.61)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL30432704	0.91	NPY2R (0.68)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30834205	0.91	NPY2R (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31182494	0.90	NPY2R (0.69)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30495648	0.90	RAMP3 (0.67)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL30429908	0.90	KDM1A (0.65)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30435649	0.90	NPY2R (0.68)	KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30536329	0.90	KDM1A (0.57)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29356641	0.89	KDM1A (0.65)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29625797	0.89	TFPI (0.66)	KDM1AKEAP1MAOBKDM5AKDM1B

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