SCHEMBL29442098

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.47

▸	EPHA2	P29317	3/20	0.43

▸	MAPK8	P45983	1/20	0.43

▸	MAPK9	P45984	1/20	0.43

▸	MAPK10	P53779	1/20	0.43

▸	MAOB	P27338	1/20	0.43

▸	KDM5A	P29375	1/20	0.43

▸	KDM1B	Q8NB78	1/20	0.43

▸	NMUR2	Q9GZQ4	3/20	0.40

▸	NMUR1	Q9HB89	3/20	0.40

▸	OPRM1	P35372	5/20	0.39

▸	OPRK1	P41145	5/20	0.39

▸	CXCR4	P61073	1/20	0.39

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
SCHEMBL7351817	0.93	MAPK8 (0.41)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL7351804	0.93	MAPK8 (0.41)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL29855959	0.93	KDM1A (0.47)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL29607893	0.93	KDM1A (0.48)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL29548952	0.93	KDM1A (0.48)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL3865485	0.90	MAPK8 (0.50)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL31165809	0.90	MAPK8 (0.45)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL29666848	0.89	KDM1A (0.53)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL29666778	0.88	EPHA2 (0.51)	KDM1AEPHA2MAPK8MAPK9MAPK10
SCHEMBL29666710	0.88	KDM1A (0.52)	KDM1AEPHA2MAPK8MAPK9MAPK10

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
US-20220096656-A1	NANOCARRIERS HAVING SURFACE CONJUGATED PEPTIDES AND USES THEREOF FOR SUSTAINED LOCAL RELEASE OF DRUGS	NORTHWESTERN UNIVERSITY	2022-03-31	—	—	US	disclosed