SCHEMBL29836365

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](CO)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 0.55

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.55

▸	KEAP1	Q14145	2/20	0.54

▸	GLP1R	P43220	6/20	0.54

▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	1/20	0.53

▸	CALCR	P30988	4/20	0.53

▸	APLNR	P35414	1/20	0.53

▸	KDM1A	O60341	1/20	0.51

▸	HCRTR1	O43613	1/20	0.51

▸	HCRTR2	O43614	1/20	0.51

▸	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
SCHEMBL29836528	1.00	F2 (0.55)	F2KEAP1GLP1RMAPK8MAPK9
SCHEMBL29836324	0.99	F2 (0.57)	F2KEAP1GLP1RMAPK8MAPK9
SCHEMBL29836271	0.98	MAPK8 (0.56)	F2KEAP1GLP1RMAPK8MAPK9
SCHEMBL29836311	0.97	KEAP1 (0.55)	F2KEAP1GLP1RMAPK8MAPK9
SCHEMBL30168734	0.97	F2 (0.56)	F2KEAP1GLP1RKDM1ASCTR
SCHEMBL30168693	0.97	F2 (0.56)	F2KEAP1GLP1RKDM1ASCTR
SCHEMBL30168702	0.97	MAPK8 (0.56)	F2KEAP1GLP1RMAPK8MAPK9
SCHEMBL29836297	0.96	KEAP1 (0.57)	F2KEAP1GLP1RMAPK8MAPK9
SCHEMBL29836352	0.96	MAPK8 (0.56)	F2KEAP1GLP1RMAPK8MAPK9
SCHEMBL30168770	0.96	F2 (0.58)	F2KEAP1GLP1RKDM1ASCTR

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