SCHEMBL29517656

CC(=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 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GNPAT	O15228	1/20	0.55

▸	TASP1	Q9H6P5	1/20	0.45

▸	ECE1	P42892	2/20	0.44

▸	BMP1	P13497	3/20	0.43

▸	ENPEP	Q07075	5/20	0.41

▸	SIRT5	Q9NXA8	1/20	0.41

▸	MME	P08473	2/20	0.41

▸	FOLH1	Q04609	1/20	0.40

▸	RIMKLA	Q8IXN7	1/20	0.40

▸	NAALAD2	Q9Y3Q0	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
SCHEMBL29517873	1.00	GNPAT (0.55)	GNPATTASP1ECE1BMP1ENPEP
SCHEMBL29517516	0.97	GNPAT (0.59)	GNPATTASP1ECE1BMP1ENPEP
SCHEMBL29517504	0.97	GNPAT (0.59)	GNPATTASP1ECE1BMP1ENPEP
SCHEMBL29517694	0.97	GNPAT (0.59)	GNPATTASP1ECE1BMP1ENPEP
SCHEMBL29517310	0.97	GNPAT (0.59)	GNPATTASP1ECE1BMP1ENPEP
SCHEMBL24616715	0.92	GNPAT (0.49)	GNPATTASP1ECE1BMP1SIRT5
SCHEMBL22648345	0.92	GNPAT (0.49)	GNPATTASP1ECE1BMP1SIRT5
SCHEMBL22640897	0.92	GNPAT (0.49)	GNPATTASP1ECE1BMP1SIRT5
SCHEMBL22640926	0.92	GNPAT (0.49)	GNPATTASP1ECE1BMP1SIRT5
SCHEMBL24616816	0.92	GNPAT (0.49)	GNPATTASP1ECE1BMP1SIRT5

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