SCHEMBL30476539

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.64

▸	EP300	Q09472	1/20	0.61

▸	HIF1A	Q16665	1/20	0.61

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	TFPI	P10646	4/20	0.58

▸	MAPK8	P45983	1/20	0.58

▸	MAPK9	P45984	1/20	0.58

▸	MAPK10	P53779	1/20	0.58

▸	KDM1A	O60341	3/20	0.58

▸	MAOB	P27338	1/20	0.57

▸	KDM5A	P29375	1/20	0.57

▸	KDM1B	Q8NB78	1/20	0.57

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
SCHEMBL31182841	0.90	TFPI (0.66)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29514899	0.90	KDM1A (0.66)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30476536	0.89	NTSR2 (0.57)	—
SCHEMBL30607456	0.89	NPY2R (0.70)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30432066	0.89	EP300 (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30495766	0.89	NPY2R (0.67)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30880900	0.89	MAPK8 (0.60)	EPHA2EP300HIF1ANPY2RNPY4R
SCHEMBL30435649	0.88	NPY2R (0.68)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30658303	0.88	NPY2R (0.68)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30607416	0.88	NPY2R (0.65)	EPHA2EP300HIF1ANPY2RNPY4R

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
CN-116239696-A	Method for rapidly preparing tumor-specific pyruvate kinase monoclonal antibody and application thereof	安徽大学	2023-06-09	—	—	CN	disclosed