SCHEMBL14218448

SCHEMBL14218448

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
ALDH1A1 P00352 3/20 0.61
PHLPP2 Q6ZVD8 1/20 0.56
MAPT P10636 2/20 0.51
LMNA P02545 3/20 0.50
CYP1A2 P05177 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 1/20 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
SCN1A P35498 1/20 0.50
HTR2B P41595 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
SCHEMBL14218450 0.98 GAA (0.64) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL5452825 0.95 GAA (0.72) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL34468111 0.89 PHLPP2 (0.71) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL9629064 0.87 GAA (0.84) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14218218 0.84 GAA (0.66) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14218445 0.84 PHLPP2 (0.79) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL8055450 0.84 TDP1 (0.73) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL14207465 0.83 GAA (0.64) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL27579412 0.83 TDP1 (0.71) GAAALDH1A1PHLPP2MAPTLMNA
SCHEMBL28907665 0.82 ALDH1A1 (0.69) ALDH1A1MAPTLMNACYP1A2MAPK1

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