SCHEMBL29699573

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	19/20	0.64

▸	BACE2	Q9Y5Z0	5/20	0.60

▸	CTSD	P07339	1/20	0.59

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
SCHEMBL30437477	0.91	BACE1 (0.67)	BACE1BACE2CTSD
SCHEMBL30512659	0.91	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL30176488	0.90	BACE1 (0.62)	BACE1BACE2
SCHEMBL31182653	0.88	BACE1 (0.62)	BACE1BACE2CTSD
SCHEMBL30433044	0.87	BACE1 (0.66)	BACE1BACE2CTSD
SCHEMBL31174213	0.87	BACE1 (0.56)	BACE1BACE2CTSD
SCHEMBL29695500	0.86	BACE1 (0.61)	BACE1BACE2CTSD
SCHEMBL30903279	0.84	BACE1 (0.62)	BACE1
SCHEMBL29965017	0.84	BACE1 (0.57)	BACE1
SCHEMBL30501948	0.84	BACE1 (0.57)	BACE1BACE2CTSD

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-111647046-B	CD133 antagonistic polypeptide, derivative and application thereof	清华大学深圳国际研究生院	2022-07-01	—	—	CN	disclosed