SCHEMBL29833346

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

nearest known ligand 0.45

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	3/20	0.45

▸	BACE1	P56817	13/20	0.43

▸	BACE2	Q9Y5Z0	4/20	0.43

▸	CTSD	P07339	1/20	0.42

▸	ERAP2	Q6P179	1/20	0.41

▸	BMP1	P13497	1/20	0.38

▸	NPY1R	P25929	1/20	0.38

▸	NPY2R	P49146	1/20	0.38

▸	NPY4R	P50391	1/20	0.38

▸	MME	P08473	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
SCHEMBL29833168	0.93	BACE1 (0.45)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL31756925	0.92	PTPN1 (0.40)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL30974137	0.91	BACE1 (0.49)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL7599791	0.91	ERAP2 (0.44)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL7599777	0.91	ERAP2 (0.44)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL29833296	0.90	PTPN1 (0.46)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL30082002	0.89	ERAP2 (0.43)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL29808247	0.89	BACE1 (0.48)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL31513090	0.88	BACE1 (0.47)	PTPN1BACE1BACE2CTSDERAP2
SCHEMBL30688995	0.88	BACE1 (0.45)	PTPN1BACE1BACE2CTSDERAP2

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