SCHEMBL30887976

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.69

▸	CTSL	P07711	2/20	0.61

▸	CTSS	P25774	2/20	0.61

▸	CTSK	P43235	2/20	0.61

▸	CTSH	P09668	1/20	0.61

▸	IL23R	Q5VWK5	1/20	0.61

▸	MC4R	P32245	1/20	0.61

▸	MC5R	P33032	1/20	0.61

▸	MC3R	P41968	1/20	0.61

▸	MC1R	Q01726	1/20	0.61

▸	PTH1R	Q03431	6/20	0.61

▸	CXCR4	P61073	3/20	0.61

▸	GLP1R	P43220	2/20	0.60

▸	CXCL8	P10145	1/20	0.59

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
SCHEMBL30006939	0.95	KEAP1 (0.70)	KEAP1MC4RMC5RMC3RMC1R
SCHEMBL29545955	0.94	KEAP1 (0.69)	KEAP1MC4RMC5RMC3RMC1R
SCHEMBL30775448	0.93	IL23R (0.68)	KEAP1CTSLCTSSCTSKCTSH
SCHEMBL30775451	0.91	MC4R (0.67)	KEAP1IL23RMC4RMC5RMC3R
SCHEMBL30432809	0.88	GLP1R (0.68)	KEAP1PTH1RGLP1R
SCHEMBL31683330	0.88	NPY1R (0.65)	KEAP1PTH1RCXCR4GLP1RCXCL8
SCHEMBL31688313	0.88	NPY1R (0.63)	KEAP1CXCR4GLP1RCXCL8
SCHEMBL30432613	0.87	NPY1R (0.69)	KEAP1MC4RMC5RMC3RMC1R
SCHEMBL29742988	0.87	CALCR (0.59)	KEAP1IL23RGLP1RCXCL8
SCHEMBL30932069	0.87	GLP1R (0.74)	KEAP1GLP1R

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-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