SCHEMBL29517297

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

nearest known ligand 0.49

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GNPAT	O15228	1/20	0.49

▸	BACE1	P56817	6/20	0.45

▸	CTSD	P07339	2/20	0.45

▸	TASP1	Q9H6P5	1/20	0.43

▸	PTPN1	P18031	1/20	0.43

▸	SIRT5	Q9NXA8	2/20	0.41

▸	SIRT2	Q8IXJ6	1/20	0.41

▸	BMP1	P13497	2/20	0.40

▸	ACE	P12821	1/20	0.40

▸	ECE1	P42892	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
SCHEMBL29517479	0.98	GNPAT (0.47)	GNPATBACE1CTSDTASP1PTPN1
SCHEMBL29517231	0.93	GNPAT (0.53)	GNPATBACE1CTSDTASP1PTPN1
SCHEMBL22640904	0.93	ACE (0.47)	GNPATBACE1CTSDTASP1PTPN1
SCHEMBL22640912	0.93	ACE (0.47)	GNPATBACE1CTSDTASP1PTPN1
SCHEMBL22640901	0.93	ACE (0.47)	GNPATBACE1CTSDTASP1PTPN1
SCHEMBL24616731	0.93	ACE (0.47)	GNPATBACE1CTSDTASP1PTPN1
SCHEMBL24616717	0.93	ACE (0.47)	GNPATBACE1CTSDTASP1PTPN1
SCHEMBL29517235	0.93	GNPAT (0.48)	GNPATBACE1CTSDTASP1SIRT5
SCHEMBL29517694	0.91	GNPAT (0.59)	GNPATTASP1SIRT5BMP1ECE1
SCHEMBL29517504	0.91	GNPAT (0.59)	GNPATTASP1SIRT5BMP1ECE1

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