SCHEMBL29833168

CC(C)C[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	13/20	0.45

▸	BACE2	Q9Y5Z0	5/20	0.45

▸	CTSD	P07339	1/20	0.44

▸	PTPN1	P18031	4/20	0.43

▸	ERAP2	Q6P179	1/20	0.41

▸	NPY1R	P25929	1/20	0.40

▸	NPY2R	P49146	1/20	0.40

▸	NPY4R	P50391	1/20	0.40

▸	BMP1	P13497	1/20	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
SCHEMBL29833346	0.93	PTPN1 (0.45)	BACE1BACE2CTSDPTPN1ERAP2
SCHEMBL29833296	0.92	PTPN1 (0.46)	BACE1BACE2CTSDPTPN1ERAP2
SCHEMBL31513090	0.92	BACE1 (0.47)	BACE1BACE2CTSDPTPN1ERAP2
SCHEMBL30974137	0.91	BACE1 (0.49)	BACE1BACE2CTSDPTPN1ERAP2
Hydrochloric Acid SCHEMBL31518365	0.91	BACE1 (0.47)	BACE1BACE2CTSDPTPN1ERAP2
SCHEMBL29519342	0.90	APLNR (0.40)	BACE1BACE2CTSDERAP2NPY1R
SCHEMBL7599791	0.89	ERAP2 (0.44)	BACE1BACE2CTSDPTPN1ERAP2
SCHEMBL29393322	0.89	BACE1 (0.46)	BACE1BACE2CTSDPTPN1ERAP2
SCHEMBL7599777	0.89	ERAP2 (0.44)	BACE1BACE2CTSDPTPN1ERAP2
SCHEMBL29808247	0.89	BACE1 (0.48)	BACE1BACE2CTSDPTPN1ERAP2

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-113106147-B	Three-dimensional DNA nano machine driven by exonuclease III and application thereof	山东师范大学	2022-08-02	—	—	CN	disclosed