SCHEMBL14985302

SCHEMBL14985302

CC(C)(C)OC(=O)NCCOCCOCCOCCn1ncc2c1CCCC2NC(=O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.52
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.42

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
SCHEMBL14977477 0.89 DHODH (0.56) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985323 0.86 DHODH (0.55) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985285 0.85 DHODH (0.54) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14976930 0.80 DHODH (0.64) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977321 0.78 DHODH (0.62) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14977475 0.75 DHODH (0.40) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977653 0.74 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977772 0.73 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2MEN1
SCHEMBL14985241 0.72 RAB9A (0.46) KMT2AGAAMEN1
SCHEMBL14977409 0.71 RAB9A (0.45) KMT2AGAAMEN1

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
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed