SCHEMBL30571125

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

nearest known ligand 0.58

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	EPHA2	P29317	2/20	0.55

▸	KEAP1	Q14145	2/20	0.53

▸	NTSR2	O95665	4/20	0.53

▸	NTSR1	P30989	4/20	0.53

▸	SORT1	Q99523	4/20	0.53

▸	EP300	Q09472	1/20	0.52

▸	HIF1A	Q16665	1/20	0.52

▸	NPY2R	P49146	7/20	0.51

▸	NPY4R	P50391	7/20	0.51

▸	NPY5R	Q15761	7/20	0.51

▸	NPY1R	P25929	5/20	0.51

▸	CALCRL	Q16602	1/20	0.51

▸	KDM1A	O60341	1/20	0.50

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
SCHEMBL30571140	0.97	NPY2R (0.55)	MAPK8MAPK9MAPK10EPHA2NTSR2
SCHEMBL30959073	0.89	MAPK8 (0.59)	MAPK8MAPK9MAPK10EPHA2KEAP1
SCHEMBL29761735	0.88	MAPK8 (0.57)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29479811	0.88	NPY2R (0.62)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30522300	0.88	EPHA2 (0.62)	MAPK8MAPK9MAPK10EPHA2NTSR2
SCHEMBL30571141	0.88	MAPK8 (0.59)	MAPK8MAPK9MAPK10EPHA2NTSR2
SCHEMBL30422996	0.87	EP300 (0.60)	MAPK8MAPK9MAPK10KEAP1EP300
SCHEMBL31182749	0.87	NPY2R (0.61)	KEAP1NPY2RNPY4RNPY5RNPY1R
SCHEMBL31307292	0.87	CALCRL (0.56)	MAPK8MAPK9MAPK10EPHA2KEAP1
SCHEMBL30880904	0.86	EPHA2 (0.59)	EPHA2NTSR2NTSR1SORT1EP300

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-20230263881-A1	Vaccine compositions for SARS-related coronaviruses and methods of use	ASCIONE RICHARD (US)	2023-08-24	—	—	US	disclosed