SCHEMBL5327040

SCHEMBL5327040

NNC(=O)C(=O)Nc1ccc(C2CCC(C(C(=O)O)(C3CCC(c4ccc(NC(=O)C(=O)NN)cc4)CC3)C3CCC(c4ccc(NC(=O)C(=O)NN)cc4)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 2/20 0.39
MITF O75030 1/20 0.38
KLF5 Q13887 1/20 0.38
DEGS1 O15121 1/20 0.37
JAK3 P52333 1/20 0.36
HPGD P15428 1/20 0.34
SLC18A3 Q16572 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL3541484 0.82 NPC1 (0.53) ALDH1A1GAAMAPK1KDM4EHDAC3
SCHEMBL3541478 0.82 NPC1 (0.53) ALDH1A1GAAMAPK1KDM4EHDAC3
SCHEMBL3543861 0.80 HDAC8 (0.56) ALDH1A1GAAMAPK1KDM4EHDAC3
SCHEMBL3545184 0.80 KDM4E (0.44) ALDH1A1GAAMAPK1KDM4EHDAC3
SCHEMBL3545185 0.80 KDM4E (0.44) ALDH1A1GAAMAPK1KDM4EHDAC3
SCHEMBL3538215 0.78 IDO1 (0.51) ALDH1A1GAAMAPK1KDM4EIDO1
SCHEMBL3538211 0.78 IDO1 (0.51) ALDH1A1GAAMAPK1KDM4EIDO1
SCHEMBL5327012 0.76 KDM4E (0.47) ALDH1A1GAAMAPK1KDM4EHDAC3
SCHEMBL5327017 0.76 KDM4E (0.47) ALDH1A1GAAMAPK1KDM4EHDAC3
SCHEMBL3546424 0.76 KDM4E (0.47) ALDH1A1GAAMAPK1KDM4EHDAC3

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-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed