SCHEMBL14218218

SCHEMBL14218218

CN(C)CCCCOC(=O)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
ALDH1A1 P00352 7/20 0.61
PHLPP2 Q6ZVD8 1/20 0.56
MAPT P10636 4/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 4/20 0.50
CYP1A2 P05177 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 1/20 0.50
DRD4 P21917 1/20 0.50
ACHE P22303 1/20 0.50
HRH2 P25021 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
NTSR1 P30989 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL9629064 0.87 GAA (0.84) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL14218448 0.84 GAA (0.66) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL14218445 0.84 PHLPP2 (0.79) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL8055450 0.84 TDP1 (0.73) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL14218450 0.83 GAA (0.64) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL14207465 0.83 GAA (0.64) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL27579412 0.83 TDP1 (0.71) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL9679323 0.82 MAPT (0.69) ALDH1A1MAPTHPGDLMNACYP1A2
SCHEMBL14218219 0.82 GAA (0.62) GAAALDH1A1PHLPP2MAPTKDM4E
SCHEMBL14924442 0.81 GAA (0.74) GAAALDH1A1PHLPP2MAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641729-B1 USE OF FUNCTIONALIZED ONIUM SALTS AS A SOLUBLE SUPPORT FOR ORGANIC SYNTHESIS CENTRE NAT RECH SCIENT (FR) 2008-05-07 EP disclosed