SCHEMBL22640907

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

nearest known ligand 0.47

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	3/20	0.47

▸	ACE	P12821	1/20	0.46

▸	SIRT5	Q9NXA8	2/20	0.45

▸	SIRT2	Q8IXJ6	1/20	0.45

▸	GNPAT	O15228	1/20	0.44

▸	TASP1	Q9H6P5	1/20	0.42

▸	BACE1	P56817	6/20	0.42

▸	BACE2	Q9Y5Z0	1/20	0.42

▸	NOD2	Q9HC29	1/20	0.40

▸	YWHAZ	P63104	1/20	0.39

▸	BMP1	P13497	1/20	0.39

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
SCHEMBL22640906	1.00	PTPN1 (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL24616810	1.00	PTPN1 (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL22640932	1.00	PTPN1 (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL22640912	0.98	ACE (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL24616717	0.98	ACE (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL24616731	0.98	ACE (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL22640901	0.98	ACE (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL22640904	0.98	ACE (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL22640930	0.95	PTPN1 (0.47)	PTPN1ACESIRT5SIRT2GNPAT
SCHEMBL24616825	0.95	PTPN1 (0.50)	PTPN1ACESIRT5GNPATBACE1

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
EP-3736284-A1	VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF	Iproteos S.L (ES)	2020-11-11	—	—	EP	disclosed