SCHEMBL29641835

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

nearest known ligand 0.69

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	17/20	0.69

▸	BACE2	Q9Y5Z0	4/20	0.69

▸	CTSD	P07339	2/20	0.67

▸	PTPN1	P18031	2/20	0.59

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
SCHEMBL30905993	0.95	BACE1 (0.61)	BACE1BACE2CTSD
SCHEMBL4551069	0.93	BACE1 (0.66)	BACE1BACE2CTSDPTPN1
SCHEMBL4551070	0.93	BACE1 (0.66)	BACE1BACE2CTSDPTPN1
SCHEMBL30804672	0.93	BACE1 (0.69)	BACE1BACE2CTSD
SCHEMBL30799944	0.91	PTPN1 (0.69)	BACE1BACE2CTSDPTPN1
SCHEMBL31720977	0.90	LTA4H (0.63)	BACE1BACE2CTSD
SCHEMBL32667937	0.90	BACE1 (0.66)	BACE1BACE2CTSD
SCHEMBL30903468	0.90	LTA4H (0.63)	BACE1BACE2CTSD
SCHEMBL30368234	0.90	BACE1 (0.62)	BACE1BACE2CTSDPTPN1
SCHEMBL30658562	0.90	BACE1 (0.66)	BACE1BACE2CTSDPTPN1

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-20220089719-A1	CONSTRUCTS TARGETING LABYRINTHIN OR A PORTION THEREOF AND USES THEREOF	LABYRX IMMUNOLOGIC THERAPEUTICS (USA) LIMITED (US)	2022-03-24	—	—	US	disclosed