SCHEMBL25801122

SCHEMBL25801122

CCN(CC)CCN(CCC(=O)OCCc1ccccc1)CCC(=O)OCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
CDYL Q9Y232 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALOX5 P09917 3/20 0.50
APP P05067 1/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
LTA4H P09960 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45

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
SCHEMBL25801123 0.94 SCN1A (0.54) TDP1SCN1ASCN2ASCN3ACDYL
SCHEMBL25801125 0.94 SCN1A (0.54) TDP1SCN1ASCN2ASCN3ACDYL
SCHEMBL25801192 0.90 KCNH2 (0.55) TDP1SCN1ASCN2ASCN3ACDYL
SCHEMBL25801111 0.87 TDP1 (0.55) TDP1SCN1ASCN2ASCN3AALOX5
SCHEMBL25801116 0.86 TDP1 (0.54) TDP1SCN1ASCN2ASCN3AALOX5
SCHEMBL25801119 0.85 KCNH2 (0.54) TDP1LTA4HOPRM1DRD3KCNH2
SCHEMBL25801112 0.85 KCNH2 (0.54) TDP1LTA4HOPRM1DRD3KCNH2
SCHEMBL25801121 0.84 TDP1 (0.62) TDP1ALOX5APPALDH1A1CYP3A4
SCHEMBL25801115 0.83 TDP1 (0.54) TDP1ALOX5APPLTA4HCHRM1
SCHEMBL23694377 0.83 CDYL (0.54) TDP1SCN1ASCN2ASCN3ACDYL

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
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO disclosed