SCHEMBL5501562

SCHEMBL5501562

CC(C)OC(=O)c1ccc[c]c1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA7 P43166 6/20 0.42
CA9 Q16790 6/20 0.42
CA14 Q9ULX7 6/20 0.42
IRAK4 Q9NWZ3 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK2 Q15119 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL5840102 0.80 NPC1 (0.46) NPC1CA12CA1CA2CA7
SCHEMBL6948735 0.80 NPC1 (0.46) NPC1CA12CA1CA2CA7
SCHEMBL3546411 0.79 SMN1; SMN2 (0.39) IRAK4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10700176 0.79 NPC1 (0.45) NPC1CA12CA1CA2CA7
SCHEMBL137907 0.74 NPC1 (0.62) NPC1CA12CA1CA2CA7
SCHEMBL2942817 0.73 IRAK4 (0.66) NPC1CA12CA1CA2CA7
SCHEMBL9673372 0.72 CA1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL7615528 0.71 IRAK4 (0.64) NPC1CA12CA1CA2CA7
SCHEMBL6014143 0.71 IRAK4 (0.64) NPC1CA12CA1CA2CA7
SCHEMBL1033621 0.71 IRAK4 (0.64) NPC1CA12CA1CA2CA7

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-1827416-A1 PHARMACEUTICAL COMPOSITIONS Abbott Laboratories (US) 2007-09-05 EP disclosed
WO-2006060817-A1 PHARMACEUTICAL COMPOSITIONS ABBOTT LABORATORIES (US) 2006-06-08 WO disclosed
EP-1517676-A1 ORAL DOSAGE FORMS COMPRISING FENOFIBRATE SKYEPHARMA CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2003092659-A1 ORAL DOSAGE FORMS COMPRISING FENOFIBRATE SKYEPHARMA CANADA INC. (CA) 2003-11-13 WO disclosed