SCHEMBL29611334

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

nearest known ligand 0.64

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	19/20	0.64

▸	CTSD	P07339	1/20	0.61

▸	BACE2	Q9Y5Z0	4/20	0.57

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
SCHEMBL31040683	0.91	BACE1 (0.70)	BACE1CTSDBACE2
SCHEMBL29677701	0.89	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL30799747	0.88	BACE1 (0.61)	BACE1CTSDBACE2
SCHEMBL30799950	0.87	MME (0.64)	BACE1
SCHEMBL29892605	0.87	MME (0.64)	BACE1
SCHEMBL30073924	0.86	OPRM1 (0.57)	BACE1CTSD
SCHEMBL30799570	0.86	BACE1 (0.66)	BACE1CTSDBACE2
SCHEMBL30799379	0.86	BACE1 (0.63)	BACE1CTSD
SCHEMBL30799626	0.85	BACE1 (0.70)	BACE1CTSDBACE2
SCHEMBL29798307	0.85	BACE1 (0.67)	BACE1CTSDBACE2

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
US-20220184177-A1	POLYPEPTIDES FOR TREATMENT OF CANCER	SAINT JOSEPH'S UNIVERSITY	2022-06-16	—	—	US	disclosed