SCHEMBL22640920

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

nearest known ligand 0.50

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	4/20	0.50

▸	ACE	P12821	1/20	0.48

▸	GNPAT	O15228	1/20	0.48

▸	BACE1	P56817	8/20	0.44

▸	BACE2	Q9Y5Z0	1/20	0.44

▸	SIRT5	Q9NXA8	1/20	0.43

▸	BMP1	P13497	2/20	0.42

▸	NOD2	Q9HC29	1/20	0.41

▸	CTSD	P07339	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
SCHEMBL24616825	1.00	PTPN1 (0.50)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL22640907	0.95	PTPN1 (0.47)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL22640906	0.95	PTPN1 (0.47)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL24616810	0.95	PTPN1 (0.47)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL24616809	0.95	PTPN1 (0.47)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL22640932	0.95	PTPN1 (0.47)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL31497402	0.93	PTPN1 (0.51)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL24616731	0.93	ACE (0.47)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL22640912	0.93	ACE (0.47)	PTPN1ACEGNPATBACE1BACE2
SCHEMBL24616717	0.93	ACE (0.47)	PTPN1ACEGNPATBACE1BACE2

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