SCHEMBL29980254

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

nearest known ligand 0.63

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.63

▸	MAOB	P27338	1/20	0.63

▸	KDM5A	P29375	1/20	0.63

▸	KDM1B	Q8NB78	1/20	0.63

▸	TFPI	P10646	4/20	0.62

▸	EPHA2	P29317	2/20	0.60

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	NMUR2	Q9GZQ4	3/20	0.58

▸	NMUR1	Q9HB89	3/20	0.58

▸	NPY2R	P49146	2/20	0.58

▸	NPY4R	P50391	2/20	0.58

▸	NPY5R	Q15761	2/20	0.58

▸	RAMP3	O60896	1/20	0.58

▸	CALCR	P30988	1/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	CXCR4	P61073	2/20	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
SCHEMBL29980542	0.92	EPHA2 (0.59)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL29980543	0.90	EPHA2 (0.57)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30137653	0.90	TFPI (0.69)	KDM1ATFPIEPHA2NMUR2NMUR1
SCHEMBL29980128	0.89	NMUR2 (0.58)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL31072603	0.88	TFPI (0.72)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL9807256	0.88	EPHA2 (0.59)	KDM1AMAOBKDM5AKDM1BEPHA2
SCHEMBL30607338	0.87	NPY2R (0.64)	TFPIEPHA2EP300HIF1ANMUR2
SCHEMBL31091491	0.87	EPHA2 (0.61)	KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL30495834	0.87	RAMP3 (0.68)	TFPIEP300HIF1ANMUR2NMUR1
SCHEMBL32677401	0.86	NMUR2 (0.62)	KDM1AMAOBKDM5AKDM1BTFPI

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-113817023-B	FGFR 4-targeted affinity peptide and application thereof	中国药科大学	2022-10-04	—	—	CN	disclosed