SCHEMBL25801124

SCHEMBL25801124

O=C(CCN(CCCN(CCO)CCO)CCC(=O)OCCc1ccccc1)OCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
APP P05067 1/20 0.49
ALOX5 P09917 4/20 0.46
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 1/20 0.41

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 0.88 TDP1 (0.54) TDP1APPALOX5LTA4H
SCHEMBL25801123 0.88 SCN1A (0.54) TDP1APPALOX5LTA4HALDH1A1
SCHEMBL25801115 0.88 TDP1 (0.54) TDP1APPALOX5LTA4H
SCHEMBL25801192 0.86 KCNH2 (0.55) TDP1APPALOX5LTA4HGAA
SCHEMBL25801111 0.86 TDP1 (0.55) TDP1APPALOX5LTA4H
SCHEMBL25801142 0.86 TDP1 (0.49) TDP1APPALOX5LTA4HALDH1A1
SCHEMBL25801125 0.85 SCN1A (0.54) TDP1APPALOX5LTA4HALDH1A1
SCHEMBL25801112 0.84 KCNH2 (0.54) TDP1LTA4H
SCHEMBL25801119 0.84 KCNH2 (0.54) TDP1LTA4H
SCHEMBL25801121 0.82 TDP1 (0.62) TDP1APPALOX5ALDH1A1HCAR2

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