SCHEMBL29641620

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

nearest known ligand 0.45

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.45

▸	MAOB	P27338	1/20	0.45

▸	KDM5A	P29375	1/20	0.45

▸	KDM1B	Q8NB78	1/20	0.45

▸	BACE1	P56817	3/20	0.44

▸	CTSD	P07339	2/20	0.44

▸	CALCRL	Q16602	3/20	0.44

▸	NMUR2	Q9GZQ4	1/20	0.42

▸	XIAP	P98170	1/20	0.41

▸	CAPN1	P07384	2/20	0.41

▸	EP300	Q09472	1/20	0.41

▸	HIF1A	Q16665	1/20	0.41

▸	EPHA2	P29317	2/20	0.41

▸	F2	P00734	1/20	0.40

▸	KEAP1	Q14145	1/20	0.40

▸	NPY1R	P25929	1/20	0.40

▸	NPY2R	P49146	1/20	0.40

▸	NPY4R	P50391	1/20	0.40

▸	NPY5R	Q15761	1/20	0.40

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
SCHEMBL30495673	0.94	BACE1 (0.49)	KDM1AMAOBKDM5AKDM1BBACE1
SCHEMBL30150591	0.94	BACE1 (0.51)	KDM1AMAOBKDM5AKDM1BBACE1
SCHEMBL30150556	0.92	BACE1 (0.49)	KDM1AMAOBKDM5AKDM1BBACE1
SCHEMBL29641660	0.92	CALCRL (0.44)	KDM1ABACE1CTSDCALCRLNMUR2
SCHEMBL31182552	0.88	BACE1 (0.47)	BACE1CTSDCALCRLCAPN1EP300
SCHEMBL29733250	0.86	CALCRL (0.47)	BACE1CTSDCALCRLXIAPCAPN1
SCHEMBL29641722	0.86	GRB2 (0.48)	CALCRLNMUR2XIAPCAPN1F2
SCHEMBL30150576	0.85	CALCRL (0.47)	BACE1CTSDCALCRLXIAPCAPN1
SCHEMBL29641778	0.85	XIAP (0.47)	CALCRLXIAP
SCHEMBL31126294	0.85	CALCRL (0.44)	BACE1CTSDCALCRLCAPN1F2

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