SCHEMBL14959999

SCHEMBL14959999

NC(=O)CCCCCCCCCCCc1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.77
HRH1 P35367 2/20 0.65
CYP2A6 P11509 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RECQL P46063 1/20 0.57
MAPT P10636 1/20 0.56
CYP3A4 P08684 1/20 0.54
CHRNA7 P36544 1/20 0.53
NAPRT Q6XQN6 1/20 0.50
FAAH O00519 1/20 0.49
CES1 P23141 1/20 0.49

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
SCHEMBL18248629 1.00 TBXAS1 (0.77) TBXAS1HRH1CYP2A6TDP1L3MBTL1
SCHEMBL10772829 1.00 TBXAS1 (0.77) TBXAS1HRH1CYP2A6TDP1L3MBTL1
SCHEMBL4304368 0.98 TBXAS1 (0.76) TBXAS1HRH1CYP2A6TDP1L3MBTL1
SCHEMBL933853 0.93 TBXAS1 (0.68) TBXAS1HRH1CYP2A6TDP1L3MBTL1
SCHEMBL18248608 0.91 TBXAS1 (0.65) TBXAS1HRH1CYP2A6TDP1L3MBTL1
SCHEMBL18248504 0.91 TBXAS1 (0.65) TBXAS1HRH1CYP2A6TDP1L3MBTL1
SCHEMBL18248525 0.89 TBXAS1 (0.62) TBXAS1HRH1CYP2A6RECQLMAPT
SCHEMBL83186 0.88 RECQL (0.62) TBXAS1HRH1CYP2A6RECQLCYP3A4
SCHEMBL7443753 0.87 TBXAS1 (1.00) TBXAS1HRH1CYP2A6TDP1L3MBTL1
SCHEMBL1009589 0.87 TBXAS1 (1.00) TBXAS1HRH1CYP2A6TDP1L3MBTL1

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 9 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
EP-2594564-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2016-09-28 EP disclosed
EP-2594562-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2016-07-20 EP disclosed
EP-2594562-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-2594565-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