SCHEMBL30437130

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.65

▸	MAPK9	P45984	1/20	0.65

▸	MAPK10	P53779	1/20	0.65

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	KDM1A	O60341	3/20	0.61

▸	KEAP1	Q14145	1/20	0.61

▸	EPHA2	P29317	2/20	0.60

▸	EP300	Q09472	1/20	0.59

▸	HIF1A	Q16665	1/20	0.59

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

▸	RAMP3	O60896	3/20	0.57

▸	CALCR	P30988	3/20	0.57

▸	TFPI	P10646	1/20	0.56

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
SCHEMBL31182865	0.90	MAPK8 (0.73)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30495769	0.88	MAPK8 (0.69)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29949610	0.88	KDM1A (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30485546	0.88	MAPK8 (0.69)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182752	0.87	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30277961	0.87	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30906476	0.87	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30607414	0.87	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29742976	0.87	MAPK8 (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29479776	0.86	MAPK8 (0.62)	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