SCHEMBL5157973

SCHEMBL5157973

CN(C)c1ccc(NC(=O)N(CCc2ccccc2)C(=O)CC(C)(C)CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MCL1 Q07820 1/20 0.50
NPY5R Q15761 2/20 0.46
NOX1 Q9Y5S8 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 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
SCHEMBL5159890 0.86 ALDH1A1 (0.41) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5160873 0.84 MAPT (0.57) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5162886 0.82 ALDH1A1 (0.60) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5163048 0.82 ALDH1A1 (0.58) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5160381 0.78 ALDH1A1 (0.50) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5160387 0.78 ALDH1A1 (0.50) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5158077 0.76 ALDH1A1 (0.48) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5159430 0.71 MMP1 (0.50) ALDH1A1MAPTALOX15SMN1; SMN2NPC1
SCHEMBL5495810 0.71 HPGD (0.46) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL5160138 0.70 ALDH1A1 (0.44) ALDH1A1MAPTALOX15SMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP claimed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO claimed
EP-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed