SCHEMBL29024896

SCHEMBL29024896

CN(C)CCCCOC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
ALDH1A1 P00352 3/20 0.53
PHLPP2 Q6ZVD8 1/20 0.49
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
DRD4 P21917 1/20 0.47
ACHE P22303 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
SCN7A Q01118 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL13291861 0.82 TDP1 (0.47) GAAALDH1A1LMNACYP1A2MAPK1
SCHEMBL9629064 0.80 GAA (0.84) GAAALDH1A1PHLPP2LMNACYP1A2
SCHEMBL23581372 0.79 CES2 (0.47) GAALMNACYP1A2MAPK1RAB9A
SCHEMBL4526065 0.79 ALDH1A1 (0.59) ALDH1A1LMNACYP1A2MAPK1KDM4E
SCHEMBL14218218 0.78 GAA (0.66) GAAALDH1A1PHLPP2LMNACYP1A2
SCHEMBL14218448 0.78 GAA (0.66) GAAALDH1A1PHLPP2LMNACYP1A2
SCHEMBL14218445 0.78 PHLPP2 (0.79) GAAALDH1A1PHLPP2LMNACYP1A2
SCHEMBL29024895 0.78 GAA (0.51) GAAALDH1A1PHLPP2LMNACYP1A2
SCHEMBL8055450 0.77 TDP1 (0.73) GAAALDH1A1PHLPP2LMNACYP1A2
SCHEMBL17672462 0.77 PHLPP2 (0.56) GAAALDH1A1PHLPP2LMNACYP1A2

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
CN-116354993-A Reactive Oxygen Species (ROS) responsive cations and their use in siRNA delivery 中国科学院合肥物质科学研究院 2023-06-30 CN disclosed