SCHEMBL5163056

SCHEMBL5163056

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MCL1 Q07820 1/20 0.51
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44

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
SCHEMBL5160878 0.93 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5158187 0.86 MEN1 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5162891 0.85 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5157981 0.83 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5160150 0.79 MEN1 (0.50) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5157860 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7813937 0.78 MAPT (0.69) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5176720 0.76 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29522596 0.71 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5160354 0.69 MEN1 (0.59) ALDH1A1MAPTNPC1RAB9AHDAC1

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