SCHEMBL30804679

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	REN	P00797	10/20	0.56

▸	KDM1A	O60341	2/20	0.55

▸	NPY2R	P49146	4/20	0.55

▸	NPY4R	P50391	4/20	0.55

▸	NPY5R	Q15761	4/20	0.55

▸	NPY1R	P25929	3/20	0.55

▸	CRHR1	P34998	1/20	0.54

▸	CRHR2	Q13324	1/20	0.54

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

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
SCHEMBL30431804	0.90	MAPK8 (0.66)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL29680032	0.88	MAPK8 (0.56)	MAPK8MAPK9MAPK10RENNPY2R
SCHEMBL29393469	0.87	MAPK8 (0.73)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL30658402	0.87	NPY2R (0.68)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL30607434	0.87	MAPK8 (0.66)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL29416106	0.86	MAPK8 (0.62)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL31182733	0.86	KDM1A (0.61)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29679496	0.85	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RCRHR1
SCHEMBL31182803	0.84	CALCR (0.71)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL29501056	0.84	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RCRHR1

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-117467671-A	Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application	河南农业大学	2024-01-30	—	—	CN	disclosed