SCHEMBL29617368

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

nearest known ligand 0.56

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	NPY2R	P49146	8/20	0.56

▸	NPY4R	P50391	8/20	0.56

▸	NPY5R	Q15761	8/20	0.56

▸	NPY1R	P25929	6/20	0.56

▸	KDM1A	O60341	2/20	0.55

▸	EPHA2	P29317	2/20	0.54

▸	TFPI	P10646	3/20	0.52

▸	NMUR2	Q9GZQ4	2/20	0.52

▸	NMUR1	Q9HB89	2/20	0.52

▸	CALCRL	Q16602	1/20	0.51

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
SCHEMBL30262189	0.89	NPY2R (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30678914	0.89	EPHA2 (0.57)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30586741	0.89	MAPK8 (0.55)	MAPK8MAPK9MAPK10EPHA2CALCRL
SCHEMBL31281064	0.89	MAPK8 (0.56)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29554773	0.88	MAPK8 (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31206300	0.87	EPHA2 (0.58)	MAPK8MAPK9MAPK10KDM1AEPHA2
SCHEMBL30733330	0.86	EPHA2 (0.58)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30607421	0.86	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30940242	0.86	NMUR2 (0.55)	MAPK8MAPK9MAPK10KDM1AEPHA2
SCHEMBL31598492	0.86	KDM1A (0.59)	NPY2RNPY4RNPY5RNPY1RKDM1A

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-111647045-B	CD133 antagonistic polypeptide, derivative and application thereof	清华大学深圳国际研究生院	2022-05-27	—	—	CN	disclosed