SCHEMBL30401894

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

nearest known ligand 0.55

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.55

▸	MAOB	P27338	1/20	0.53

▸	KDM5A	P29375	1/20	0.53

▸	KDM1B	Q8NB78	1/20	0.53

▸	MAPK8	P45983	1/20	0.50

▸	MAPK9	P45984	1/20	0.50

▸	MAPK10	P53779	1/20	0.50

▸	NPY2R	P49146	7/20	0.50

▸	NPY4R	P50391	7/20	0.50

▸	NPY5R	Q15761	7/20	0.50

▸	NPY1R	P25929	5/20	0.50

▸	TFPI	P10646	4/20	0.49

▸	CALCR	P30988	3/20	0.47

▸	KEAP1	Q14145	1/20	0.47

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
SCHEMBL30400246	1.00	KDM1A (0.55)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30401228	0.98	KDM1A (0.55)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30311294	0.98	KDM1A (0.54)	KDM1AMAOBKDM5AKDM1BMAPK8
Acetic Acid SCHEMBL30311135	0.97	KDM1A (0.53)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30311298	0.97	KDM1A (0.56)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30311211	0.96	KDM1A (0.55)	KDM1AMAOBKDM5AKDM1BMAPK8
Acetic Acid SCHEMBL30311278	0.96	KDM1A (0.55)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30401187	0.96	KDM1A (0.57)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30311228	0.96	KDM1A (0.57)	KDM1AMAOBKDM5AKDM1BMAPK8
SCHEMBL30401159	0.96	KDM1A (0.57)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116003529-A	Polypeptide and application thereof in repairing mucous membrane injury or skin injury	四川好医生攀西药业有限责任公司	2023-04-25	—	—	CN	claimed
CN-116003529-A	Polypeptide and application thereof in repairing mucous membrane injury or skin injury	四川好医生攀西药业有限责任公司	2023-04-25	—	—	CN	disclosed