SCHEMBL7923588

SCHEMBL7923588

COc1ccc(C(=O)CCCCC(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.70
HDAC8 Q9BY41 4/20 0.67
HDAC1 Q13547 4/20 0.67
MAPT P10636 1/20 0.62
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
MMP1 P03956 1/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
PARP10 Q53GL7 2/20 0.58
PARP1 P09874 1/20 0.58
PARP2 Q9UGN5 1/20 0.58
PARP4 Q9UKK3 1/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58

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
SCHEMBL7993440 0.98 HDAC8 (0.69) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL27859507 0.98 HDAC8 (0.69) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL7995333 0.96 PDE4B (0.75) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL3171960 0.93 PDE4B (0.79) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL6820048 0.91 MMP1 (0.65) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL4082864 0.89 PDE4B (0.86) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL10793133 0.88 PDE4B (0.68) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL13493042 0.87 HDAC8 (0.64) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL17636040 0.86 MMP1 (0.59) PDE4BHDAC8HDAC1MAPTNPC1
SCHEMBL7928597 0.86 PDE4B (0.70) PDE4BHDAC8HDAC1MAPTNPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
EP-3078373-A1 2-ACYLAMINOPROPANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITOR Genzyme Corporation (US) 2016-10-12 EP disclosed
EP-2349255-B1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2016-03-30 EP disclosed
EP-2594562-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594565-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594563-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594564-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
CN-102271678-A 2-acylaminopropanol type glucosylceramide synthase inhibitors 2011-12-07 CN disclosed
CN-101888840-A method of treating polycystic kidney disease using brain amide derivatives GENZYME CORP 2010-11-17 CN disclosed
WO-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO disclosed
WO-2010014554-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2010-02-04 WO disclosed
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed