SCHEMBL809862

SCHEMBL809862

C=C(CCC(Cl)CCl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TRPA1 O75762 1/20 0.35
GSK3B P49841 1/20 0.35
HIF1A Q16665 1/20 0.35
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL810448 0.84 MAOA (0.39) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL809516 0.80 MAOA (0.39) MAOAMAOBSLC6A4SLC6A3ALDH1A1
SCHEMBL809943 0.80 SLC6A4 (0.40) MAOAMAOBSLC6A4SLC6A3MAPT
SCHEMBL809444 0.79 MAOA (0.41) MAOAMAOBSLC6A4SLC6A3ALDH1A1
SCHEMBL11004445 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1TRPA1GSK3BHIF1A
SCHEMBL810101 0.76 MAOA (0.48) MAOAMAOBSLC6A4SLC6A3ALDH1A1
SCHEMBL7990104 0.75 MAOA (0.56) MAOAMAOBSLC6A4SLC6A3ALDH1A1
SCHEMBL1238325 0.75 MAOA (0.44) MAOAMAOBSLC6A4SLC6A3ALDH1A1
SCHEMBL809891 0.74 MAOA (0.37) MAOAMAOBSLC6A4SLC6A3ALDH1A1
SCHEMBL12321185 0.73 MAOA (0.47) MAOAMAOBSLC6A4SLC6A3ALDH1A1

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