SCHEMBL29517692

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

nearest known ligand 0.44

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.44

▸	GNPAT	O15228	1/20	0.44

▸	ECE1	P42892	2/20	0.42

▸	BMP1	P13497	2/20	0.41

▸	TASP1	Q9H6P5	1/20	0.40

▸	FOLH1	Q04609	1/20	0.39

▸	ENPEP	Q07075	5/20	0.38

▸	SIRT5	Q9NXA8	1/20	0.38

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
SCHEMBL29673327	0.98	GNPAT (0.46)	KEAP1GNPATECE1BMP1TASP1
SCHEMBL29673329	0.93	KEAP1 (0.48)	KEAP1GNPATECE1BMP1TASP1
SCHEMBL22648206	0.89	KEAP1 (0.47)	KEAP1ECE1BMP1SIRT5
SCHEMBL29517873	0.88	GNPAT (0.55)	GNPATECE1BMP1TASP1FOLH1
SCHEMBL29517656	0.88	GNPAT (0.55)	GNPATECE1BMP1TASP1FOLH1
SCHEMBL29517516	0.86	GNPAT (0.59)	GNPATECE1BMP1TASP1FOLH1
SCHEMBL29517310	0.86	GNPAT (0.59)	GNPATECE1BMP1TASP1FOLH1
SCHEMBL29517504	0.86	GNPAT (0.59)	GNPATECE1BMP1TASP1FOLH1
SCHEMBL29517694	0.86	GNPAT (0.59)	GNPATECE1BMP1TASP1FOLH1
SCHEMBL22640903	0.83	TLR2 (0.46)	KEAP1FOLH1SIRT5

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