SCHEMBL810458

SCHEMBL810458

C=C(CCC(I)CC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 2/20 0.34
ATM Q13315 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL809516 0.82 MAOA (0.39) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL809982 0.81 MAOA (0.41) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL810275 0.81 MAOA (0.41) MAOAMAOBLMNAATMMAPT
SCHEMBL809374 0.81 SLC6A4 (0.40) MAOAMAOBSLC6A4SLC6A3MAPT
SCHEMBL5033210 0.80 MAOA (0.40) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL809638 0.79 MAOA (0.39) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL810448 0.79 MAOA (0.39) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL1238325 0.77 MAOA (0.44) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL809891 0.76 MAOA (0.37) MAOAMAOBSLC6A4SLC6A3LMNA
SCHEMBL11000395 0.75 HDAC3 (0.41) MAOAMAOBSLC6A4SLC6A3LMNA

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