SCHEMBL30542169

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

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.54

▸	CTSD	P07339	2/20	0.51

▸	BACE2	Q9Y5Z0	2/20	0.51

▸	MME	P08473	1/20	0.50

▸	ACE	P12821	1/20	0.50

▸	CPA1	P15085	1/20	0.50

▸	ACE2	Q9BYF1	1/20	0.50

▸	F2	P00734	1/20	0.49

▸	NAALAD2	Q9Y3Q0	1/20	0.48

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
SCHEMBL18907573	0.98	BACE1 (0.54)	BACE1CTSDBACE2MMEACE
SCHEMBL30054528	0.94	BACE1 (0.56)	BACE1CTSDBACE2MMEACE
SCHEMBL29630630	0.93	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL31220207	0.93	BACE1 (0.58)	BACE1CTSDBACE2MMEACE
SCHEMBL30051904	0.92	MME (0.57)	CTSDMMEACECPA1ACE2
Ammonia Solution, Strong SCHEMBL29411356	0.92	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL30904472	0.91	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL30054333	0.90	F2 (0.57)	BACE1CTSDBACE2F2
SCHEMBL29857400	0.90	ACE (0.51)	BACE1BACE2MMEACECPA1
SCHEMBL29458786	0.90	ACE (0.51)	BACE1BACE2MMEACECPA1

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-116606348-A	Self-assembled supermolecule nano material responding to AXL kinase and preparation method and application thereof	东南大学	2023-08-18	—	—	CN	disclosed