SCHEMBL22648206

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

nearest known ligand 0.47

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	8/20	0.47

▸	SIRT5	Q9NXA8	1/20	0.39

▸	APC	P25054	3/20	0.38

▸	BMP1	P13497	2/20	0.38

▸	GRIN2D	O15399	1/20	0.38

▸	GRIN3B	O60391	1/20	0.38

▸	GRIN1	Q05586	1/20	0.38

▸	GRIN2A	Q12879	1/20	0.38

▸	GRIN2B	Q13224	1/20	0.38

▸	GRIN2C	Q14957	1/20	0.38

▸	GRIN3A	Q8TCU5	1/20	0.38

▸	PTPN1	P18031	1/20	0.37

▸	ECE1	P42892	1/20	0.37

▸	YWHAZ	P63104	1/20	0.37

▸	TFPI	P10646	1/20	0.37

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
SCHEMBL29673329	0.96	KEAP1 (0.48)	KEAP1SIRT5APCBMP1GRIN2D
SCHEMBL29673327	0.89	GNPAT (0.46)	KEAP1SIRT5APCBMP1ECE1
SCHEMBL29517692	0.89	KEAP1 (0.44)	KEAP1SIRT5BMP1ECE1
SCHEMBL22648341	0.89	GNPAT (0.45)	KEAP1SIRT5BMP1GRIN2DGRIN3B
SCHEMBL22640903	0.85	TLR2 (0.46)	KEAP1SIRT5GRIN2DGRIN3BGRIN1
SCHEMBL22648217	0.85	TLR2 (0.46)	KEAP1SIRT5GRIN2DGRIN3BGRIN1
SCHEMBL24616715	0.85	GNPAT (0.49)	KEAP1SIRT5BMP1GRIN2DGRIN3B
SCHEMBL22640926	0.85	GNPAT (0.49)	KEAP1SIRT5BMP1GRIN2DGRIN3B
SCHEMBL22648312	0.85	GNPAT (0.49)	KEAP1SIRT5BMP1GRIN2DGRIN3B
SCHEMBL24616816	0.85	GNPAT (0.49)	KEAP1SIRT5BMP1GRIN2DGRIN3B

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-2020225245-A1	VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF	IPROTEOS, S.L. (ES)	2020-11-12	—	—	WO	disclosed