SCHEMBL30438951

CC(C)C[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	15/20	0.47

▸	BACE2	Q9Y5Z0	3/20	0.47

▸	CTSD	P07339	2/20	0.47

▸	MME	P08473	3/20	0.43

▸	FNTA	P49354	1/20	0.43

▸	FNTB	P49356	1/20	0.43

▸	NPY1R	P25929	1/20	0.40

▸	NPY2R	P49146	1/20	0.40

▸	NPY4R	P50391	1/20	0.40

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
SCHEMBL30439682	0.93	MME (0.49)	BACE1BACE2CTSDMMENPY1R
SCHEMBL30439183	0.92	MME (0.42)	BACE1BACE2CTSDMMENPY1R
SCHEMBL30439402	0.90	TASP1 (0.49)	—
SCHEMBL29775551	0.89	BACE1 (0.44)	BACE1BACE2CTSDNPY1RNPY2R
SCHEMBL29775564	0.88	BACE1 (0.46)	BACE1BACE2CTSD
SCHEMBL30439565	0.88	BACE1 (0.46)	BACE1BACE2CTSD
SCHEMBL29775619	0.88	BACE1 (0.46)	BACE1BACE2CTSD
SCHEMBL30439004	0.88	MME (0.45)	BACE1BACE2CTSDMMENPY1R
SCHEMBL29775576	0.86	ALDH1A1 (0.47)	BACE1MMENPY1RNPY2RNPY4R
SCHEMBL29775621	0.86	ALDH1A1 (0.47)	BACE1MMENPY1RNPY2RNPY4R

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
EP-3556769-B1	POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF	INST MED BIOTECHNOLOGY CAMS (CN)	2023-06-14	—	—	EP	disclosed