SCHEMBL30436942

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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)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)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.70

Predicted protein targets (top 14)

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

▸	MAPK9	P45984	1/20	0.70

▸	MAPK10	P53779	1/20	0.70

▸	NTSR2	O95665	9/20	0.55

▸	NTSR1	P30989	9/20	0.55

▸	SORT1	Q99523	8/20	0.55

▸	CALCRL	Q16602	1/20	0.55

▸	NPY1R	P25929	4/20	0.52

▸	NPY2R	P49146	4/20	0.52

▸	NPY4R	P50391	4/20	0.52

▸	NPY5R	Q15761	4/20	0.52

▸	EPHA2	P29317	1/20	0.52

▸	EP300	Q09472	1/20	0.52

▸	HIF1A	Q16665	1/20	0.52

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
SCHEMBL30607441	0.90	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30437373	0.89	MAPK8 (0.71)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29810116	0.88	MAPK8 (0.65)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29545383	0.87	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30846537	0.87	MAPK8 (0.62)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL31000870	0.86	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL29410236	0.86	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL31106633	0.86	MAPK8 (0.59)	MAPK8MAPK9MAPK10CALCRLEPHA2
SCHEMBL31182925	0.85	CALCR (0.68)	MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL30571141	0.85	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1

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