SCHEMBL29517504

SCHEMBL29517504

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.59
▸ TASP1 Q9H6P5 1/20 0.45
▸ FOLH1 Q04609 4/20 0.43
▸ RIMKLA Q8IXN7 1/20 0.43
▸ NAALAD2 Q9Y3Q0 1/20 0.43
▸ BMP1 P13497 3/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.41
▸ ECE1 P42892 2/20 0.41
▸ MME P08473 2/20 0.41
▸ ENPEP Q07075 2/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29517310 1.00 GNPAT (0.59) GNPATTASP1FOLH1RIMKLANAALAD2
SCHEMBL29517694 1.00 GNPAT (0.59) GNPATTASP1FOLH1RIMKLANAALAD2
SCHEMBL29517516 1.00 GNPAT (0.59) GNPATTASP1FOLH1RIMKLANAALAD2
SCHEMBL29517873 0.97 GNPAT (0.55) GNPATTASP1FOLH1RIMKLANAALAD2
SCHEMBL29517656 0.97 GNPAT (0.55) GNPATTASP1FOLH1RIMKLANAALAD2
SCHEMBL29517673 0.95 GNPAT (0.59) GNPATTASP1FOLH1RIMKLANAALAD2
SCHEMBL29517231 0.94 GNPAT (0.53) GNPATTASP1SIRT5
SCHEMBL24616715 0.92 GNPAT (0.49) GNPATTASP1BMP1SIRT5ECE1
SCHEMBL22648312 0.92 GNPAT (0.49) GNPATTASP1BMP1SIRT5ECE1
SCHEMBL22640897 0.92 GNPAT (0.49) GNPATTASP1BMP1SIRT5ECE1

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.

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