SCHEMBL5158077

SCHEMBL5158077

CN(C)c1ccc(NC(=O)N(CCc2ccccc2)C(=O)CC2(CC(=O)O)CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MCL1 Q07820 1/20 0.48
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
NPY5R Q15761 1/20 0.43
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
NOX1 Q9Y5S8 1/20 0.40
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37

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 0.80 MAPT (0.57) ALDH1A1MAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL5499900 0.79 GAA (0.39) ALDH1A1HPGDUSP2KMT2AGAA
SCHEMBL5162886 0.78 ALDH1A1 (0.60) ALDH1A1MAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL5163048 0.78 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL5498618 0.78 TMEM97 (0.39) ALDH1A1KMT2AGAA
SCHEMBL5157973 0.76 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL6407708 0.74 MMP1 (0.53) ALDH1A1MAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL5499890 0.72 GAA (0.36) ALDH1A1HPGDUSP2GAATSHR
SCHEMBL6411246 0.72 MMP1 (0.54) ALDH1A1MAPTMAPK1ALOX15SMN1; SMN2
SCHEMBL5160387 0.72 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1ALOX15SMN1; 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