SCHEMBL30980367

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	13/20	0.47

▸	BACE2	Q9Y5Z0	1/20	0.45

▸	CTSD	P07339	3/20	0.42

▸	SIRT2	Q8IXJ6	1/20	0.40

▸	SIRT5	Q9NXA8	1/20	0.40

▸	ERBB2	P04626	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
SCHEMBL31069710	0.94	BACE1 (0.44)	BACE1BACE2CTSD
SCHEMBL30980378	0.93	BACE1 (0.48)	BACE1BACE2CTSDERBB2
SCHEMBL30980374	0.89	BACE1 (0.54)	BACE1BACE2CTSD
SCHEMBL30586992	0.88	BACE1 (0.43)	BACE1BACE2CTSD
SCHEMBL29608328	0.88	BACE1 (0.39)	BACE1BACE2CTSDSIRT2SIRT5
SCHEMBL30262109	0.83	BACE1 (0.49)	BACE1BACE2CTSD
SCHEMBL30099468	0.83	BACE1 (0.44)	BACE1CTSD
SCHEMBL30452111	0.83	BACE1 (0.45)	BACE1BACE2CTSDERBB2
SCHEMBL29733242	0.82	BACE1 (0.56)	BACE1BACE2CTSDERBB2
SCHEMBL29630546	0.82	BACE1 (0.42)	BACE1CTSD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20240366738-A1	MOLECULAR VACCINES FOR INFECTIOUS DISEASE	AGILENT TECHNOLOGIES INC (US)	2024-11-07	—	—	US	disclosed
US-11992518-B2	Molecular vaccines for infectious disease	AGILENT TECHNOLOGIES, INC. (US)	2024-05-28	—	—	US	disclosed