SCHEMBL29517479

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

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GNPAT	O15228	1/20	0.47

▸	PTPN1	P18031	2/20	0.45

▸	BACE1	P56817	11/20	0.43

▸	CTSD	P07339	2/20	0.43

▸	SIRT2	Q8IXJ6	1/20	0.43

▸	SIRT5	Q9NXA8	1/20	0.43

▸	TASP1	Q9H6P5	1/20	0.42

▸	BACE2	Q9Y5Z0	1/20	0.40

▸	ACE	P12821	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
SCHEMBL29517297	0.98	GNPAT (0.49)	GNPATPTPN1BACE1CTSDSIRT2
SCHEMBL29517231	0.95	GNPAT (0.53)	GNPATPTPN1BACE1CTSDSIRT2
SCHEMBL22640907	0.93	PTPN1 (0.47)	GNPATPTPN1BACE1SIRT2SIRT5
SCHEMBL22640932	0.93	PTPN1 (0.47)	GNPATPTPN1BACE1SIRT2SIRT5
SCHEMBL22640906	0.93	PTPN1 (0.47)	GNPATPTPN1BACE1SIRT2SIRT5
SCHEMBL24616810	0.93	PTPN1 (0.47)	GNPATPTPN1BACE1SIRT2SIRT5
SCHEMBL22648129	0.93	PTPN1 (0.45)	GNPATPTPN1BACE1SIRT2SIRT5
SCHEMBL31497323	0.91	PTPN1 (0.48)	GNPATPTPN1BACE1SIRT2SIRT5
SCHEMBL29517483	0.91	GNPAT (0.53)	GNPATPTPN1BACE1SIRT2SIRT5
SCHEMBL24616717	0.91	ACE (0.47)	GNPATPTPN1BACE1CTSDSIRT2

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-3966234-A1	VASCULAR CHOLESTEROL INHIBITORS AND USE THEREOF	Consejo Superior De Investigaciones Científicas (ES)	2022-03-16	—	—	EP	disclosed