SCHEMBL5157981

SCHEMBL5157981

CN(C)c1ccc(NC(=O)[C@H](CNC(=O)CC(C)(C)CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
MAPT P10636 5/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MCL1 Q07820 1/20 0.41
KMT2A Q03164 4/20 0.41
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC1 Q13547 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC2 Q92769 4/20 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
SCHEMBL5159894 0.86 MEN1 (0.46) ALDH1A1GAAKMT2AHDAC3HDAC4
SCHEMBL5160878 0.84 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2MAPTGAA
SCHEMBL5162891 0.83 ALDH1A1 (0.56) ALDH1A1CRHBPCRHR2MAPTGAA
SCHEMBL5163056 0.83 ALDH1A1 (0.51) ALDH1A1CRHBPCRHR2MAPTGAA
SCHEMBL5159430 0.77 MMP1 (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5157860 0.76 ALDH1A1 (0.48) ALDH1A1CRHBPCRHR2MAPTGAA
SCHEMBL5495822 0.71 KDM4A (0.41) GAAHPGD
SCHEMBL5160150 0.70 MEN1 (0.50) ALDH1A1GAAKMT2AHDAC3HDAC4
SCHEMBL29522596 0.70 ALDH1A1 (0.60) ALDH1A1MAPTGAASMN1; SMN2NPC1
SCHEMBL16395827 0.69 MAPT (0.63) ALDH1A1MAPTGAARAB9AKMT2A

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