SCHEMBL19043168

SCHEMBL19043168

NC(=O)CCOc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.51
MAOB P27338 1/20 0.51
LTA4H P09960 3/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
PDK2 Q15119 1/20 0.46
FAAH O00519 1/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL30530685 0.92 KDM4E (0.53) PARP10MAOBLTA4HKDM4ESMN1; SMN2
SCHEMBL17122910 0.82 LTA4H (0.48) PARP10LTA4HL3MBTL1
SCHEMBL652824 0.82 L3MBTL1 (0.67) LTA4HALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL8302869 0.81 LTA4H (0.54) MAOBLTA4HALDH1A1KDM4ESMN1; SMN2
SCHEMBL4689283 0.81 CYP1A2 (0.54) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8113416 0.81 L3MBTL1 (0.46) PARP10LTA4HL3MBTL1PDK2
SCHEMBL881471 0.81 L3MBTL1 (0.70) PARP10LTA4HL3MBTL1
SCHEMBL1117015 0.81 MAPT (0.66) PARP10ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1310073 0.81 LTA4H (0.50) PARP10MAOBLTA4HALDH1A1KDM4E
SCHEMBL1116911 0.80 ALDH1A1 (0.55) MAOBLTA4HALDH1A1PDK2

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-2550965-B1 Ceramide derivatives for treating polycystic kidney disease GENZYME CORP (US) 2019-01-16 EP disclosed
EP-2209473-B1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORP (US) 2017-11-22 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
CN-102271678-A 2-acylaminopropanol type glucosylceramide synthase inhibitors 2011-12-07 CN disclosed