SCHEMBL809593

SCHEMBL809593

C=C(CCC(I)C(C)OC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MAOA P21397 6/20 0.35
MAOB P27338 6/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL809638 0.83 MAOA (0.39) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL809891 0.81 MAOA (0.37) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL809982 0.80 MAOA (0.41) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL11705550 0.78 MAOA (0.40) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL809374 0.76 SLC6A4 (0.40) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL1238325 0.76 MAOA (0.44) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL810458 0.73 MAOA (0.39) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL22544625 0.73 MAOA (0.46) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL809444 0.73 MAOA (0.41) SLC6A4SLC6A3MAOAMAOBMAPT
SCHEMBL11701468 0.72 SLC6A4 (0.41) SLC6A4SLC6A3MAOAMAOBMAPT

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