SCHEMBL30429108

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	KEAP1	Q14145	1/20	0.53

▸	CALCR	P30988	4/20	0.52

▸	NPY2R	P49146	7/20	0.52

▸	NPY4R	P50391	7/20	0.52

▸	NPY5R	Q15761	7/20	0.52

▸	NPY1R	P25929	5/20	0.52

▸	KDM1A	O60341	3/20	0.52

▸	HCRTR1	O43613	1/20	0.51

▸	HCRTR2	O43614	1/20	0.51

▸	MAOB	P27338	1/20	0.50

▸	KDM5A	P29375	1/20	0.50

▸	KDM1B	Q8NB78	1/20	0.50

▸	REN	P00797	1/20	0.49

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
SCHEMBL30401163	0.88	KDM1A (0.57)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30432928	0.88	NPY2R (0.56)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL30311294	0.87	KDM1A (0.54)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30400246	0.87	KDM1A (0.55)	MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL30401894	0.87	KDM1A (0.55)	MAPK8MAPK9MAPK10KEAP1CALCR
Acetic Acid SCHEMBL30311135	0.86	KDM1A (0.53)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30311211	0.86	KDM1A (0.55)	MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL30311250	0.86	MAPK8 (0.55)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30311423	0.86	MAPK8 (0.55)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30311203	0.86	KDM1A (0.55)	MAPK8MAPK9MAPK10NPY2RNPY4R

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
US-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed