SCHEMBL25801191

SCHEMBL25801191

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.61
TDP1 Q9NUW8 1/20 0.60
APP P05067 1/20 0.52
ALOX5 P09917 2/20 0.52
SIGMAR1 Q99720 2/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49

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
SCHEMBL25801132 0.94 TDP1 (0.64) LTA4HTDP1APPALOX5
SCHEMBL822621 0.87 LTA4H (0.60) LTA4HTDP1ALOX5SIGMAR1SLC6A2
SCHEMBL25801115 0.86 TDP1 (0.54) LTA4HTDP1APPALOX5SIGMAR1
SCHEMBL25801192 0.84 KCNH2 (0.55) LTA4HTDP1APPALOX5SLC6A2
SCHEMBL9554286 0.84 LTA4H (0.67) LTA4HTDP1ALOX5SIGMAR1
SCHEMBL25801123 0.83 SCN1A (0.54) LTA4HTDP1APPALOX5SLC6A2
SCHEMBL25801116 0.83 TDP1 (0.54) LTA4HTDP1APPALOX5
SCHEMBL1054351 0.82 TDP1 (0.75) TDP1APPALOX5SLC6A3
SCHEMBL22832718 0.82 TDP1 (0.81) TDP1APPALOX5SLC6A3
SCHEMBL9731175 0.81 LTA4H (0.66) LTA4HALOX5SIGMAR1

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