SCHEMBL30980374

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

nearest known ligand 0.54

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	13/20	0.54

▸	CTSD	P07339	3/20	0.44

▸	PTH1R	Q03431	1/20	0.43

▸	TASP1	Q9H6P5	1/20	0.42

▸	MAGI3	Q5TCQ9	1/20	0.42

▸	BACE2	Q9Y5Z0	1/20	0.42

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
SCHEMBL30980378	0.94	BACE1 (0.48)	BACE1CTSDBACE2
SCHEMBL30980367	0.89	BACE1 (0.47)	BACE1CTSDBACE2
SCHEMBL30262011	0.89	TASP1 (0.53)	BACE1CTSDPTH1RTASP1BACE2
SCHEMBL30076038	0.85	ENPEP (0.51)	BACE1
SCHEMBL30433047	0.85	BACE1 (0.59)	BACE1CTSDTASP1BACE2
SCHEMBL31069710	0.85	BACE1 (0.44)	BACE1CTSDBACE2
SCHEMBL30586992	0.85	BACE1 (0.43)	BACE1CTSDBACE2
SCHEMBL31666003	0.84	BACE1 (0.45)	BACE1CTSDTASP1BACE2
SCHEMBL31410852	0.84	ENPEP (0.48)	BACE1
SCHEMBL30512563	0.83	BACE1 (0.48)	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