SCHEMBL29836301

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.57

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	F2	P00734	4/20	0.56

▸	CALCR	P30988	4/20	0.54

▸	GLP1R	P43220	3/20	0.53

▸	HCRTR1	O43613	1/20	0.53

▸	HCRTR2	O43614	1/20	0.53

▸	KDM1A	O60341	3/20	0.53

▸	BECN1	Q14457	1/20	0.52

▸	NPY1R	P25929	2/20	0.51

▸	NPY2R	P49146	2/20	0.51

▸	NPY4R	P50391	2/20	0.51

▸	NPY5R	Q15761	2/20	0.51

▸	MAOB	P27338	1/20	0.51

▸	KDM5A	P29375	1/20	0.51

▸	KDM1B	Q8NB78	1/20	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
SCHEMBL29836297	0.98	KEAP1 (0.57)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL30168706	0.97	KEAP1 (0.57)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL30168694	0.97	KEAP1 (0.59)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL29836324	0.97	F2 (0.57)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL29836271	0.97	MAPK8 (0.56)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL29836311	0.96	KEAP1 (0.55)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL30168702	0.96	MAPK8 (0.56)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL29836528	0.95	F2 (0.55)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL29836365	0.95	F2 (0.55)	KEAP1MAPK8MAPK9MAPK10F2
SCHEMBL29836352	0.95	MAPK8 (0.56)	KEAP1MAPK8MAPK9MAPK10F2

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-11434484-B2	Three-component CRISPR/Cas complex system and uses thereof	THE JACKSON LABORATORY (US)	2022-09-06	—	—	US	disclosed