SCHEMBL30428447

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.70

▸	MAPK9	P45984	1/20	0.70

▸	MAPK10	P53779	1/20	0.70

▸	NPY1R	P25929	9/20	0.59

▸	NPY2R	P49146	9/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	KEAP1	Q14145	1/20	0.58

▸	CALCR	P30988	4/20	0.58

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
SCHEMBL30712922	0.95	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30712950	0.91	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30432762	0.90	MAPK8 (0.65)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL31182925	0.90	CALCR (0.68)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30436229	0.90	NPY2R (0.66)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29754385	0.89	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30658227	0.89	CALCR (0.67)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL31182559	0.89	NPY2R (0.69)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL31295731	0.88	NPY2R (0.65)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30712935	0.88	NPY2R (0.64)	MAPK8MAPK9MAPK10NPY1RNPY2R

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