SCHEMBL30844397

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

nearest known ligand 0.54

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	KDM1A	O60341	3/20	0.53

▸	MAOB	P27338	1/20	0.51

▸	KDM5A	P29375	1/20	0.51

▸	KDM1B	Q8NB78	1/20	0.51

▸	RAMP3	O60896	8/20	0.48

▸	CALCR	P30988	8/20	0.48

▸	NPY2R	P49146	4/20	0.48

▸	NPY4R	P50391	4/20	0.48

▸	NPY5R	Q15761	4/20	0.48

▸	NPY1R	P25929	3/20	0.48

▸	TFPI	P10646	2/20	0.47

▸	IL23R	Q5VWK5	1/20	0.47

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
SCHEMBL30844380	0.97	MAPK8 (0.55)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844381	0.96	KDM1A (0.55)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844344	0.95	KDM1A (0.55)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844413	0.95	KDM1A (0.57)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844384	0.95	KDM1A (0.57)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844399	0.94	KDM1A (0.56)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844394	0.94	KDM1A (0.58)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844290	0.93	KDM1A (0.56)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844339	0.93	KDM1A (0.55)	MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844374	0.93	KDM1A (0.55)	MAPK8MAPK9MAPK10KDM1AMAOB

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-117858890-A	Polypeptide compound and application thereof in treating enteritis	四川好医生攀西药业有限责任公司	2024-04-09	—	—	CN	disclosed