SCHEMBL5158167

SCHEMBL5158167

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MCL1 Q07820 1/20 0.46
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
GLS O94925 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
SCHEMBL5160138 0.93 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL5163048 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL5160351 0.85 EPHX2 (0.46) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL5159890 0.83 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL5160873 0.78 MAPT (0.57) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL5163832 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL472311 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL29221815 0.72 KMT2A (0.61) ALDH1A1MAPK1SMN1; SMN2ALOX15NPC1
SCHEMBL6411176 0.70 F7 (0.57) ALDH1A1POLB
SCHEMBL7358726 0.70 ALOX5 (0.59) MAPK1SMN1; SMN2NPC1MAPTRAB9A

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