SCHEMBL30887974

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

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	5/20	0.64

▸	MAPK8	P45983	1/20	0.63

▸	MAPK9	P45984	1/20	0.63

▸	MAPK10	P53779	1/20	0.63

▸	CALCR	P30988	5/20	0.58

▸	RAMP3	O60896	4/20	0.58

▸	EP300	Q09472	1/20	0.58

▸	HIF1A	Q16665	1/20	0.58

▸	CXCR4	P61073	2/20	0.58

▸	TFPI	P10646	2/20	0.57

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
SCHEMBL30887975	0.99	KEAP1 (0.65)	KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL30964513	0.93	RAMP3 (0.64)	KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL30712950	0.88	MAPK8 (0.67)	KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL30887977	0.88	CALCR (0.64)	KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL31000870	0.88	MAPK8 (0.67)	MAPK8MAPK9MAPK10CALCRRAMP3
SCHEMBL30712922	0.88	MAPK8 (0.67)	KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL31005076	0.88	MAPK8 (0.61)	KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL30433003	0.87	NPY2R (0.64)	KEAP1CALCRRAMP3EP300HIF1A
SCHEMBL29479812	0.87	KEAP1 (0.60)	KEAP1MAPK8MAPK9MAPK10EP300
SCHEMBL31336977	0.87	TFPI (0.64)	KEAP1CALCREP300HIF1ACXCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-117164668-B	Polypeptide compound, composition and use thereof	青岛双元泰和药业有限公司	2024-05-10	—	—	CN	claimed
CN-117164668-B	Polypeptide compound, composition and use thereof	青岛双元泰和药业有限公司	2024-05-10	—	—	CN	disclosed