SCHEMBL29883512

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.68

▸	MAPK9	P45984	1/20	0.68

▸	MAPK10	P53779	1/20	0.68

▸	KEAP1	Q14145	1/20	0.56

▸	KDM1A	O60341	2/20	0.56

▸	NPY2R	P49146	8/20	0.54

▸	NPY4R	P50391	8/20	0.54

▸	NPY5R	Q15761	8/20	0.54

▸	NPY1R	P25929	6/20	0.54

▸	EPHA2	P29317	2/20	0.54

▸	TFPI	P10646	1/20	0.52

▸	CALCRL	Q16602	1/20	0.52

▸	EP300	Q09472	1/20	0.52

▸	HIF1A	Q16665	1/20	0.52

▸	REN	P00797	2/20	0.51

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
SCHEMBL30436616	0.87	MAPK8 (0.69)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29393469	0.86	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29607801	0.86	MAPK8 (0.72)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30607347	0.85	NPY2R (0.63)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL31182939	0.85	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29607908	0.84	MAPK8 (0.69)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29607530	0.84	MAPK8 (0.74)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30487131	0.84	MAPK8 (0.65)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL29679821	0.83	MAPK8 (0.63)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30607441	0.83	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R

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-11453886-B2	Virus-like particles and uses thereof	CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR)	2022-09-27	—	—	US	disclosed