SCHEMBL5248952

SCHEMBL5248952

CC(=O)O[C@H]1CC[C@H](c2ccc(NC(=O)C(=O)NN)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
HDAC3 O15379 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
SLC18A3 Q16572 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
DEGS1 O15121 1/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
KDM1B Q8NB78 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
IDO1 P14902 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL5248956 1.00 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL13755354 0.81 KDM4E (0.44) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL3549948 0.80 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL3549945 0.80 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL3543861 0.79 HDAC8 (0.56) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL3541484 0.78 NPC1 (0.53) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL3541478 0.78 NPC1 (0.53) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL5438599 0.77 ALDH1A1 (0.45) ALDH1A1SLC18A3MAPTLMNAMAOA
SCHEMBL13008026 0.77 KDM4E (0.46) KDM4EALDH1A1GAAMAPK1HDAC3
SCHEMBL14199019 0.77 KDM4E (0.46) KDM4EALDH1A1GAAMAPK1HDAC3

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