SCHEMBL31069710

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)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	15/20	0.44

▸	BACE2	Q9Y5Z0	1/20	0.42

▸	CTSD	P07339	4/20	0.39

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
SCHEMBL30980367	0.94	BACE1 (0.47)	BACE1BACE2CTSD
SCHEMBL30586992	0.92	BACE1 (0.43)	BACE1BACE2CTSD
SCHEMBL30980378	0.89	BACE1 (0.48)	BACE1BACE2CTSD
SCHEMBL30980374	0.85	BACE1 (0.54)	BACE1BACE2CTSD
SCHEMBL29608328	0.84	BACE1 (0.39)	BACE1BACE2CTSD
SCHEMBL30099468	0.82	BACE1 (0.44)	BACE1CTSD
SCHEMBL30051216	0.82	FNTA (0.46)	BACE1CTSD
SCHEMBL30262027	0.82	BACE1 (0.48)	BACE1CTSD
SCHEMBL29777682	0.80	BACE1 (0.48)	BACE1BACE2CTSD
SCHEMBL31412186	0.80	NOD1 (0.49)	—

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
WO-2024210907-A1	TCR-MIMTC BISPECIFIC ANTIBODIES FOR HIV-1	THE JOHNS HOPKINS UNIVERSITY (US)	2024-10-10	—	—	WO	disclosed