SCHEMBL7209167

SCHEMBL7209167

O[C@H]1CNCC[C@]1(O)CC(Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MAOB P27338 4/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MMP3 P08254 1/20 0.38
MMP10 P09238 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOA P21397 2/20 0.37
KDM1A O60341 1/20 0.37
CACNA1B Q00975 1/20 0.37
LTA4H P09960 2/20 0.36

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
SCHEMBL7214886 1.00 PPARG (0.43) PPARGPPARAMAOBNPC1RAB9A
SCHEMBL7209171 0.92 CDK1 (0.35) PPARGPPARAMAOBLMNACYP1A2
SCHEMBL8195162 0.84 MAOB (0.44) MAOBNPC1RAB9AMMP3MMP10
SCHEMBL8195227 0.84 MAOB (0.44) MAOBNPC1RAB9AMMP3MMP10
SCHEMBL6376835 0.71 CDK7 (0.41) MAOBLMNASLC6A2CYP2C19SLC6A3
SCHEMBL6382124 0.71 CDK7 (0.41) MAOBLMNASLC6A2CYP2C19SLC6A3
SCHEMBL7408899 0.71 CDK7 (0.41) MAOBLMNASLC6A2CYP2C19SLC6A3
SCHEMBL7208859 0.71 CDK7 (0.41) MAOBLMNASLC6A2CYP2C19SLC6A3
SCHEMBL7208856 0.71 CDK7 (0.41) MAOBLMNASLC6A2CYP2C19SLC6A3
SCHEMBL6380856 0.71 CDK7 (0.41) MAOBLMNASLC6A2CYP2C19SLC6A3

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-1278730-A2 4-BENZYL-1- 2-(4-HYDROXY-PHENOXY)-ETHYL]-PIPERIDINE-3,4-DIOL F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
WO-2001081309-A2 4-BENZYL-1-[2-(4-HYDROXY-PHENOXY)-ETHYL]-PIPERIDINE-3,4-DIOL F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 WO disclosed