SCHEMBL8525988

SCHEMBL8525988

C=C(CCc1ccc(OC)c(N)c1)c1ccc(N(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CALM1 P0DP23 2/20 0.40
AOC3 Q16853 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL7247673 0.77 PDE4A (0.61) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL31090146 0.72 GAA (0.77) GAALMNAALDH1A1HTTL3MBTL1
SCHEMBL7254762 0.72 ALDH1A1 (0.76) GAALMNAALDH1A1HTTL3MBTL1
SCHEMBL10208072 0.71 ALDH1A1 (0.55) GAALMNAALDH1A1HTTL3MBTL1
SCHEMBL24603063 0.71 GAA (0.59) GAAALDH1A1AOC3CYP1A2CYP3A4
SCHEMBL7398838 0.71 GAA (0.59) GAALMNAALDH1A1HTTL3MBTL1
SCHEMBL3716351 0.70 GAA (0.62) GAAALDH1A1AOC3CYP1A2CYP3A4
SCHEMBL687841 0.70 GAA (0.67) GAALMNAALDH1A1HTTL3MBTL1
SCHEMBL3949236 0.70 GAA (0.57) GAALMNAALDH1A1HTTL3MBTL1
SCHEMBL13181092 0.68 GAA (0.69) GAALMNAALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed