SCHEMBL14985285

SCHEMBL14985285

CC(C)(C)OC(=O)NCCOCCOCCOc1cccc(-n2ncc3c2CCCC3NC(=O)c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.54
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL14985323 0.93 DHODH (0.55) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977772 0.90 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985302 0.85 DHODH (0.52) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977653 0.82 DHODH (0.60) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977638 0.82 DHODH (0.67) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14985241 0.80 RAB9A (0.46) KMT2AGAA
SCHEMBL14977409 0.79 RAB9A (0.45) KMT2AGAA
SCHEMBL14985324 0.79 DHODH (0.61) DHODHKMT2AGAASMN1; SMN2
SCHEMBL14977770 0.77 DHODH (0.47) DHODHKMT2A
SCHEMBL14977153 0.77 DHODH (0.68) DHODHKMT2AGAASMN1; SMN2

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