SCHEMBL30973661

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

nearest known ligand 0.51

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.51

▸	MAPK8	P45983	1/20	0.48

▸	MAPK9	P45984	1/20	0.48

▸	MAPK10	P53779	1/20	0.48

▸	CALCRL	Q16602	4/20	0.47

▸	MAOB	P27338	1/20	0.47

▸	KDM5A	P29375	1/20	0.47

▸	KDM1B	Q8NB78	1/20	0.47

▸	NPY2R	P49146	7/20	0.45

▸	NPY4R	P50391	7/20	0.45

▸	NPY5R	Q15761	7/20	0.45

▸	NPY1R	P25929	5/20	0.45

▸	TACR1	P25103	1/20	0.44

▸	TFPI	P10646	1/20	0.42

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
SCHEMBL30311221	0.92	KDM1A (0.52)	KDM1AMAPK8MAPK9MAPK10CALCRL
Acetic Acid SCHEMBL30311242	0.91	KDM1A (0.52)	KDM1AMAPK8MAPK9MAPK10CALCRL
SCHEMBL30311309	0.89	KDM1A (0.56)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30311503	0.89	KDM1A (0.57)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30401733	0.88	KDM1A (0.57)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30311228	0.88	KDM1A (0.57)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30409433	0.88	MAPK8 (0.51)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30311260	0.88	KDM1A (0.58)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30399560	0.88	KDM1A (0.57)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30401159	0.88	KDM1A (0.57)	KDM1AMAPK8MAPK9MAPK10MAOB

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-118290544-A	S-layer protein derived polypeptide and application thereof	四川大学	2024-07-05	—	—	CN	disclosed