SCHEMBL30495673

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	6/20	0.49

▸	CTSD	P07339	3/20	0.49

▸	KDM1A	O60341	3/20	0.45

▸	MAOB	P27338	1/20	0.45

▸	KDM5A	P29375	1/20	0.45

▸	KDM1B	Q8NB78	1/20	0.45

▸	CAPN1	P07384	2/20	0.44

▸	CALCRL	Q16602	2/20	0.44

▸	NPY2R	P49146	5/20	0.42

▸	NPY4R	P50391	5/20	0.42

▸	NPY5R	Q15761	5/20	0.42

▸	NPY1R	P25929	4/20	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
SCHEMBL29641620	0.94	KDM1A (0.45)	BACE1CTSDKDM1AMAOBKDM5A
SCHEMBL30150591	0.91	BACE1 (0.51)	BACE1CTSDKDM1AMAOBKDM5A
SCHEMBL31182552	0.90	BACE1 (0.47)	BACE1CTSDCAPN1CALCRL
SCHEMBL30150556	0.89	BACE1 (0.49)	BACE1CTSDKDM1AMAOBKDM5A
SCHEMBL30495783	0.87	EP300 (0.48)	BACE1CTSDCALCRLNPY2RNPY4R
SCHEMBL29641660	0.87	CALCRL (0.44)	BACE1CTSDKDM1ACAPN1CALCRL
SCHEMBL6524705	0.87	BACE1 (0.48)	BACE1CTSDKDM1ACALCRL
SCHEMBL29733250	0.86	CALCRL (0.47)	BACE1CTSDCAPN1CALCRL
SCHEMBL30973993	0.85	BACE1 (0.47)	BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL29733288	0.85	CALCRL (0.51)	BACE1CTSDCALCRL

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed