SCHEMBL30437373

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

nearest known ligand 0.71

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.71

▸	MAPK9	P45984	1/20	0.71

▸	MAPK10	P53779	1/20	0.71

▸	NPY2R	P49146	10/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	8/20	0.61

▸	CALCR	P30988	4/20	0.54

▸	OPRM1	P35372	2/20	0.53

▸	OPRK1	P41145	2/20	0.53

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
SCHEMBL31182895	0.91	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30436596	0.90	MAPK8 (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30658285	0.90	NPY2R (0.72)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30310002	0.90	NPY2R (0.66)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182685	0.89	NPY2R (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30436942	0.89	MAPK8 (0.70)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182994	0.88	NPY2R (0.68)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30431791	0.88	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29810116	0.88	MAPK8 (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182809	0.87	NPY2R (0.65)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116103323-B	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2024-10-22	—	—	CN	disclosed
CN-116103323-A	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2023-05-12	—	—	CN	disclosed