SCHEMBL809720

SCHEMBL809720

C=C(CCCCl)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
GSK3B P49841 2/20 0.42
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
CYP2A6 P11509 1/20 0.33

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
SCHEMBL10595232 0.83 MAOA (0.50) MAOAMAOBGSK3BCES2CES1
SCHEMBL2011999 0.82 MAOA (0.48) MAOAMAOBL3MBTL1LMNAKDM4E
SCHEMBL809973 0.82 MAOA (0.48) MAOAMAOBGSK3BCES2CES1
SCHEMBL809696 0.82 KMT2A (0.37) MAOAMAOBGSK3BCES2CES1
SCHEMBL810004 0.81 MAOA (0.45) MAOAMAOBGSK3BL3MBTL1MAPK1
SCHEMBL2554543 0.78 MAOA (0.53) MAOAMAOBGSK3BCES2CES1
SCHEMBL8585794 0.77 ALDH1A1 (0.46) MAOAMAOBGSK3BCES2CES1
SCHEMBL810463 0.77 MAPT (0.45) MAOAMAOBGSK3BCES2CES1
SCHEMBL10415925 0.77 MAOA (0.52) MAOAMAOBGSK3BCES2CES1
SCHEMBL810271 0.75 MAOA (0.44) MAOAMAOBGSK3BL3MBTL1MAPK1

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