SCHEMBL30512779

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	18/20	0.52

▸	CTSD	P07339	5/20	0.49

▸	BACE2	Q9Y5Z0	2/20	0.46

▸	TEAD4	Q15561	1/20	0.45

▸	TEAD3	Q99594	1/20	0.45

▸	GRIN2D	O15399	1/20	0.44

▸	GRIN3B	O60391	1/20	0.44

▸	GRIN1	Q05586	1/20	0.44

▸	GRIN2A	Q12879	1/20	0.44

▸	GRIN2B	Q13224	1/20	0.44

▸	GRIN2C	Q14957	1/20	0.44

▸	GRIN3A	Q8TCU5	1/20	0.44

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
SCHEMBL31010532	0.90	BACE1 (0.48)	BACE1CTSDBACE2
SCHEMBL30118983	0.90	FOLH1 (0.45)	BACE1CTSDTEAD4TEAD3GRIN2D
SCHEMBL29711237	0.89	BACE1 (0.49)	BACE1CTSDBACE2GRIN2DGRIN3B
SCHEMBL30242246	0.89	FOLH1 (0.43)	BACE1CTSDBACE2TEAD4TEAD3
SCHEMBL29466783	0.89	FOLH1 (0.44)	BACE1CTSDTEAD4TEAD3
SCHEMBL38659062	0.88	BACE1 (0.57)	BACE1CTSDBACE2
SCHEMBL30578965	0.88	BACE1 (0.50)	BACE1CTSDBACE2
SCHEMBL31432513	0.88	FOLH1 (0.48)	—
SCHEMBL30272510	0.88	FNTA (0.52)	BACE1CTSDBACE2
SCHEMBL30304755	0.87	BACE1 (0.51)	BACE1CTSDBACE2

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed