SCHEMBL29867735

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CN)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.49

▸	KEAP1	Q14145	4/20	0.49

▸	HCRTR1	O43613	1/20	0.46

▸	HCRTR2	O43614	1/20	0.46

▸	NPY2R	P49146	7/20	0.44

▸	NPY4R	P50391	7/20	0.44

▸	NPY5R	Q15761	7/20	0.44

▸	NPY1R	P25929	5/20	0.44

▸	EP300	Q09472	1/20	0.44

▸	HIF1A	Q16665	1/20	0.44

▸	RAMP3	O60896	1/20	0.43

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
SCHEMBL30880882	0.87	CALCR (0.55)	CALCRKEAP1HCRTR1HCRTR2NPY2R
SCHEMBL29728673	0.86	CALCR (0.60)	CALCRKEAP1HCRTR1HCRTR2
SCHEMBL29728671	0.86	CALCR (0.60)	CALCRKEAP1HCRTR1HCRTR2
SCHEMBL30997401	0.84	RAMP3 (0.49)	CALCRKEAP1NPY2RNPY4RNPY5R
SCHEMBL30930172	0.83	NPY2R (0.52)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30574975	0.81	MAPK8 (0.47)	CALCRKEAP1HCRTR1HCRTR2
SCHEMBL30432890	0.81	NPY2R (0.53)	CALCRKEAP1HCRTR1HCRTR2NPY2R
SCHEMBL30198507	0.81	NPY2R (0.48)	CALCRKEAP1NPY2RNPY4RNPY5R
SCHEMBL30629285	0.81	KEAP1 (0.50)	KEAP1
SCHEMBL30067104	0.80	PTPN1 (0.48)	NPY2RNPY4RNPY5RNPY1REP300

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-114921435-B	Ornithine acetyltransferase mutant, encoding gene, plasmid, genetically engineered bacterium and application	南通紫琅生物医药科技有限公司	2023-08-29	—	—	CN	disclosed
CN-114921435-A	Ornithine acetyltransferase mutant, coding gene, plasmid, gene engineering bacterium and application	南通紫琅生物医药科技有限公司	2022-08-19	—	—	CN	disclosed