SCHEMBL5052850

SCHEMBL5052850

C#CC(=C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32

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
SCHEMBL451457 0.77 ALDH1A1 (0.52) DGAT1
SCHEMBL15338629 0.74 DGAT1 (0.30) DGAT1
SCHEMBL2712242 0.72 DGAT1 (0.39) DGAT1
SCHEMBL78520 0.71 DGAT1 (0.46) DGAT1
SCHEMBL8398362 0.70 DGAT1 (0.37) DGAT1
SCHEMBL1060660 0.70
SCHEMBL28298942 0.70 ALDH1A1 (0.50) DGAT1
SCHEMBL33412 0.70 ALDH1A1 (0.50) DGAT1
SCHEMBL3896600 0.70 DGAT1 (0.37) DGAT1
SCHEMBL28139252 0.70 ALDH1A1 (0.44) DGAT1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013076159-A1 BIARSENICAL NANOPARTICLES FOR IN VIVO LABELING IMEC (BE) 2013-05-30 WO disclosed
US-20080299046-A1 METHODS FOR CONTROLLING SURFACE FUNCTIONALITY OF METAL OXIDE NANOPARTICLES, METAL OXIDE NANOPARTICLES HAVING CONTROLLED FUNCTIONALITY, AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-12-04 US disclosed