SCHEMBL809790

SCHEMBL809790

C=C(CCCI)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NR1I2 O75469 1/20 0.44
PDE4B Q07343 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
GSK3B P49841 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL31618944 0.84 MAPT (0.46) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL9336832 0.84 NR1I2 (0.50) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL810463 0.82 MAPT (0.45) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL8862087 0.82 ALDH1A1 (0.45) MAPTMAOAMAOBNR1I2PDE4B
SCHEMBL17682001 0.81 NR1I2 (0.47) MAPTMAOAMAOBNR1I2ALDH1A1
SCHEMBL809922 0.79 KMT2A (0.37) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL4089172 0.79 PDE4B (0.71) MAPTPDE4BALDH1A1LMNAGSK3B
SCHEMBL319214 0.79 PDE4B (0.70) MAPTPDE4BCES2CES1ALDH1A1
SCHEMBL20382586 0.78 CA1 (0.53) MAPTPDE4BCES2CES1ALDH1A1
SCHEMBL17937304 0.77 ALDH1A1 (0.44) MAPTMAOAMAOBPDE4BCES2

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
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed