SCHEMBL25801132

SCHEMBL25801132

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

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
LTA4H P09960 6/20 0.56
APP P05067 1/20 0.55
ALOX5 P09917 4/20 0.55
KMT2A Q03164 1/20 0.49
HCAR2 Q8TDS4 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL25801191 0.94 LTA4H (0.61) TDP1LTA4HAPPALOX5
SCHEMBL22832718 0.84 TDP1 (0.81) TDP1APPALOX5HCAR2ALDH1A1
SCHEMBL822621 0.84 LTA4H (0.60) TDP1LTA4HALOX5
SCHEMBL25801115 0.83 TDP1 (0.54) TDP1LTA4HAPPALOX5
SCHEMBL9367557 0.83 TDP1 (0.92) TDP1APPALOX5HCAR2ALDH1A1
SCHEMBL25801121 0.83 TDP1 (0.62) TDP1APPALOX5KMT2AHCAR2
SCHEMBL25801122 0.82 TDP1 (0.57) TDP1LTA4HAPPALOX5ALDH1A1
SCHEMBL4351218 0.81 TDP1 (0.70) TDP1APPALOX5HCAR2ALDH1A1
SCHEMBL585144 0.81 TDP1 (0.70) TDP1APPALOX5HCAR2ALDH1A1
SCHEMBL5175877 0.81 LTA4H (0.74) LTA4HALOX5

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