SCHEMBL25801115

SCHEMBL25801115

CN(C)CCCN(CCC(=O)OCCc1ccccc1)CCC(=O)OCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ALOX5 P09917 2/20 0.48
APP P05067 1/20 0.48
LTA4H P09960 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
CHRM1 P11229 1/20 0.45
RAD52 P43351 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
SCHEMBL25801116 0.89 TDP1 (0.54) TDP1ALOX5APPLTA4H
SCHEMBL25801123 0.89 SCN1A (0.54) TDP1ALOX5APPLTA4HCHRM1
SCHEMBL25801192 0.88 KCNH2 (0.55) TDP1ALOX5APPLTA4HCHRM1
SCHEMBL25801124 0.88 TDP1 (0.55) TDP1ALOX5APPLTA4H
SCHEMBL25801111 0.88 TDP1 (0.55) TDP1ALOX5APPLTA4H
SCHEMBL25801125 0.86 SCN1A (0.54) TDP1ALOX5APPLTA4HCHRM1
SCHEMBL25801191 0.86 LTA4H (0.61) TDP1ALOX5APPLTA4HSIGMAR1
SCHEMBL25801112 0.85 KCNH2 (0.54) TDP1LTA4H
SCHEMBL25801119 0.85 KCNH2 (0.54) TDP1LTA4H
SCHEMBL25801122 0.83 TDP1 (0.57) TDP1ALOX5APPLTA4HCHRM1

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