SCHEMBL30358196

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.69

▸	GLP1R	P43220	11/20	0.66

▸	GCGR	P47871	8/20	0.66

▸	NMBR	P28336	1/20	0.64

▸	GRPR	P30550	1/20	0.64

▸	KEAP1	Q14145	1/20	0.62

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	CCKBR	P32239	2/20	0.61

▸	GIPR	P48546	5/20	0.61

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
SCHEMBL29588160	0.91	CALCR (0.66)	CALCRGLP1RGCGRNMBRGRPR
SCHEMBL29588702	0.91	CALCR (0.64)	CALCRGLP1RGCGRNMBRGRPR
SCHEMBL29587876	0.90	CALCR (0.65)	CALCRGLP1RGCGRNMBRGRPR
SCHEMBL30159330	0.90	CALCR (0.73)	CALCRGLP1RGCGRKEAP1NPY1R
SCHEMBL30932061	0.90	GLP1R (0.72)	CALCRGLP1RGCGRKEAP1NPY1R
SCHEMBL29588042	0.90	CALCR (0.65)	CALCRGLP1RGCGRNMBRGRPR
SCHEMBL29588523	0.89	CALCR (0.68)	CALCRGLP1RGCGRNMBRGRPR
SCHEMBL30658362	0.89	NMBR (0.65)	CALCRGLP1RGCGRNMBRGRPR
SCHEMBL31148884	0.89	CALCR (0.79)	CALCRGLP1RGCGRNPY1RNPY2R
SCHEMBL29416113	0.89	CXCR4 (0.63)	CALCRGLP1RGCGRNMBRGRPR

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
US-11732279-B2	Method AMD strains for reducing byproduct fumaric acid in fermentation process of L-malic acid and use thereof	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-08-22	—	—	US	disclosed
US-20230167471-A1	METHOD AMD STRAINS FOR REDUCING BYPRODUCT FUMARIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-06-01	—	—	US	disclosed