SCHEMBL29836276

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)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 9)

	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

▸	GLP1R	P43220	13/20	0.54

▸	CALCR	P30988	4/20	0.53

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	SCTR	P47872	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
SCHEMBL30168767	0.97	KEAP1 (0.59)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL29836271	0.97	MAPK8 (0.56)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL29836311	0.96	KEAP1 (0.55)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL29836352	0.96	MAPK8 (0.56)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL30168702	0.96	MAPK8 (0.56)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL29836528	0.95	F2 (0.55)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL29836365	0.95	F2 (0.55)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL29836297	0.95	KEAP1 (0.57)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL29836301	0.95	KEAP1 (0.57)	KEAP1MAPK8MAPK9MAPK10GLP1R
SCHEMBL30168706	0.94	KEAP1 (0.57)	KEAP1MAPK8MAPK9MAPK10GLP1R

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