SCHEMBL29466227

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.57

▸	MAOB	P27338	1/20	0.53

▸	KDM5A	P29375	1/20	0.53

▸	KDM1B	Q8NB78	1/20	0.53

▸	MAPK8	P45983	1/20	0.48

▸	MAPK9	P45984	1/20	0.48

▸	MAPK10	P53779	1/20	0.48

▸	REN	P00797	10/20	0.47

▸	NPY1R	P25929	2/20	0.44

▸	NPY2R	P49146	2/20	0.44

▸	NPY4R	P50391	2/20	0.44

▸	NPY5R	Q15761	2/20	0.44

▸	CXCR4	P61073	1/20	0.43

▸	TACR1	P25103	1/20	0.43

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
SCHEMBL29466224	0.97	KDM1A (0.61)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30512701	0.88	KDM1A (0.50)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30495768	0.85	MAPK8 (0.60)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30567723	0.85	KDM1A (0.58)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30997476	0.85	MAPK8 (0.49)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29414612	0.85	KDM1A (0.50)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30311233	0.84	KDM1A (0.57)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30311221	0.84	KDM1A (0.52)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30495789	0.83	KDM1A (0.46)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL29679831	0.83	KDM1A (0.48)	KDM1AMAOBKDM5AKDM1BMAPK8

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-113912678-B	Mimic peptide of targeting Coxsackie virus-adenovirus receptor and application of mimic peptide in cerebral apoplexy repair	中国药科大学	2022-03-29	—	—	CN	disclosed