SCHEMBL29965273

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC

nearest known ligand 0.61

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	KEAP1	Q14145	1/20	0.52

▸	KDM1A	O60341	3/20	0.45

▸	NPY4R	P50391	2/20	0.45

▸	MAOB	P27338	1/20	0.42

▸	KDM5A	P29375	1/20	0.42

▸	KDM1B	Q8NB78	1/20	0.42

▸	REN	P00797	4/20	0.41

▸	BECN1	Q14457	5/20	0.40

▸	F11	P03951	1/20	0.40

▸	VIPR1	P32241	1/20	0.40

▸	VIPR2	P41587	1/20	0.40

▸	HRAS	P01112	1/20	0.39

▸	KRAS	P01116	1/20	0.39

▸	SOS1	Q07889	1/20	0.39

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
SCHEMBL30974409	0.90	MAPK8 (0.55)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30683247	0.89	MAPK8 (0.55)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30712778	0.88	MAPK8 (0.61)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30712786	0.88	MAPK8 (0.61)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30171144	0.88	KDM1A (0.48)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL5580302	0.87	MAPK8 (0.61)	MAPK8MAPK9MAPK10KEAP1VIPR1
SCHEMBL5580299	0.87	MAPK8 (0.61)	MAPK8MAPK9MAPK10KEAP1VIPR1
SCHEMBL30712774	0.87	MAPK8 (0.56)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30712787	0.87	MAPK8 (0.56)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31573976	0.87	KDM1A (0.52)	MAPK8MAPK9MAPK10KEAP1KDM1A

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
CN-115109121-A	Polypeptide specifically bound to RIPK3 and application thereof	北京伟峰益民科技有限公司	2022-09-27	—	—	CN	disclosed