SCHEMBL1815685

SCHEMBL1815685

COc1cc(CC(N)=O)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
DGAT1 O75907 1/20 0.48
SOAT1 P35610 1/20 0.48
ALDH1A1 P00352 3/20 0.48
NFKB1 P19838 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 2/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
NPC1 O15118 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL20519924 0.88 GAA (0.62) DGAT1SOAT1ALDH1A1NFKB1GAA
SCHEMBL27854362 0.85 FFAR4 (0.46) ALDH1A1NFKB1SMN1; SMN2HPGDNPC1
SCHEMBL21368940 0.81 HTR7 (0.59) ICMT
SCHEMBL3574310 0.81 CTSA (0.50) CYP1A2CYP3A4CYP2C19ALDH1A1TDP1
SCHEMBL29602721 0.81 LMNA (0.61) CYP1A2CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL1033641 0.81 LMNA (0.61) CYP1A2CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL28174998 0.80 HPGD (0.51) ALDH1A1NFKB1GAATSHRTDP1
SCHEMBL2570486 0.80 CSNK2A1 (0.57) CYP1A2CYP3A4CYP2C19ALDH1A1TDP1
SCHEMBL27815745 0.80 CYP1A1 (0.46) CYP1A2CYP3A4CYP2C19ALDH1A1NFKB1
SCHEMBL7349532 0.79 TPH1 (0.57) TDP1KDM4EHSD17B10

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-2320886-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE Genzyme Corporation (US) 2011-05-18 EP 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