SCHEMBL5163048

SCHEMBL5163048

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
ALOX15 P16050 2/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
NFKB1 P19838 1/20 0.58
RAB9A P51151 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
MCL1 Q07820 1/20 0.58
NPY5R Q15761 1/20 0.48
NOX1 Q9Y5S8 1/20 0.45
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM5A P29375 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5160873 0.93 MAPT (0.57) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL5158167 0.85 ALDH1A1 (0.46) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL5162886 0.84 ALDH1A1 (0.60) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL5157973 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL5160138 0.78 ALDH1A1 (0.44) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL5158077 0.78 ALDH1A1 (0.48) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL5160387 0.76 ALDH1A1 (0.50) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL5160381 0.76 ALDH1A1 (0.50) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL7813937 0.73 MAPT (0.69) ALDH1A1MAPTALOX15MAPK1SMN1; SMN2
SCHEMBL10102735 0.71 NR1H4 (0.70) ALDH1A1MAPTALOX15MAPK1SMN1; 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 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