SCHEMBL30786590

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

nearest known ligand 0.48

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	12/20	0.48

▸	CTSD	P07339	4/20	0.48

▸	MAPK8	P45983	1/20	0.44

▸	MAPK9	P45984	1/20	0.44

▸	MAPK10	P53779	1/20	0.44

▸	TEAD4	Q15561	1/20	0.41

▸	TEAD3	Q99594	1/20	0.41

▸	CALCRL	Q16602	1/20	0.40

▸	KDM1A	O60341	1/20	0.39

▸	FOLH1	Q04609	2/20	0.38

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
SCHEMBL30512701	0.89	KDM1A (0.50)	BACE1CTSDMAPK8MAPK9MAPK10
SCHEMBL31573976	0.84	KDM1A (0.52)	BACE1CTSDMAPK8MAPK9MAPK10
SCHEMBL29947764	0.84	REN (0.43)	BACE1CTSD
SCHEMBL29531930	0.84	FOLH1 (0.50)	FOLH1
SCHEMBL30582932	0.83	BACE1 (0.41)	BACE1CTSDMAPK8MAPK9MAPK10
SCHEMBL29641664	0.83	CALCRL (0.46)	BACE1CTSDTEAD4TEAD3CALCRL
SCHEMBL29683336	0.83	DPP7 (0.42)	CALCRL
SCHEMBL29590889	0.83	BACE1 (0.44)	BACE1CTSDMAPK8MAPK9MAPK10
SCHEMBL31721038	0.82	MEN1 (0.42)	FOLH1
SCHEMBL30496162	0.81	MEN1 (0.42)	BACE1CTSDTEAD4TEAD3CALCRL

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-117815402-A	Coupling medicine of targeting STAT3 protein and application thereof	国家纳米科学中心	2024-04-05	—	—	CN	disclosed