SCHEMBL30262071

CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	3/20	0.62

▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	CALCR	P30988	3/20	0.57

▸	NMUR2	Q9GZQ4	2/20	0.56

▸	NMUR1	Q9HB89	2/20	0.56

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

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
SCHEMBL30607311	0.91	KEAP1 (0.60)	KEAP1MAPK8MAPK9MAPK10NPY2R
SCHEMBL30607310	0.88	CALCR (0.66)	KEAP1MAPK8MAPK9MAPK10NPY2R
SCHEMBL30432155	0.88	CALCR (0.64)	KEAP1MAPK8MAPK9MAPK10NPY2R
SCHEMBL30658336	0.88	KEAP1 (0.63)	KEAP1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30495784	0.88	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30248619	0.88	MAPK8 (0.59)	KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL30495645	0.87	CALCR (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29754385	0.87	MAPK8 (0.64)	KEAP1MAPK8MAPK9MAPK10NPY2R
SCHEMBL30437173	0.87	NPY2R (0.63)	KEAP1MAPK8MAPK9MAPK10NPY2R
SCHEMBL30974287	0.87	MAPK8 (0.60)	KEAP1MAPK8MAPK9MAPK10NPY2R

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-20230040544-A1	COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC)	SAREPTA THERAPEUTICS, INC.	2023-02-09	—	—	US	disclosed