SCHEMBL5160873

SCHEMBL5160873

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
ALOX15 P16050 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
NFKB1 P19838 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MCL1 Q07820 1/20 0.57
NPY5R Q15761 1/20 0.50
NOX1 Q9Y5S8 1/20 0.46
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5163048 0.93 ALDH1A1 (0.58) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL5162886 0.86 ALDH1A1 (0.60) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL5160138 0.85 ALDH1A1 (0.44) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL5157973 0.84 ALDH1A1 (0.50) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL5158077 0.80 ALDH1A1 (0.48) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL5158167 0.78 ALDH1A1 (0.46) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL5160381 0.77 ALDH1A1 (0.50) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL5160387 0.77 ALDH1A1 (0.50) MAPTALDH1A1ALOX15SMN1; SMN2NPC1
SCHEMBL29140944 0.70 NPY5R (0.78) MAPTALDH1A1NPY5RMEN1KMT2A
SCHEMBL5160351 0.70 EPHX2 (0.46) MAPTALDH1A1ALOX15SMN1; 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 2 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 disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed