SCHEMBL25801142

SCHEMBL25801142

O=C(CCNCCN(CCO)CCC(=O)OCCc1ccccc1)OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
APP P05067 1/20 0.44
LTA4H P09960 5/20 0.44
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 2/20 0.43
ALOX5 P09917 1/20 0.42
S1PR5 Q9H228 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL25801128 0.93 TDP1 (0.51) TDP1APPLTA4HS1PR1S1PR3
SCHEMBL25801124 0.86 TDP1 (0.55) TDP1APPLTA4HALOX5ALDH1A1
SCHEMBL25801121 0.77 TDP1 (0.62) TDP1APPALOX5ALDH1A1
SCHEMBL7290583 0.77 TDP1 (0.75) TDP1APPALOX5ALDH1A1
SCHEMBL25801122 0.77 TDP1 (0.57) TDP1APPLTA4HALOX5ALDH1A1
SCHEMBL25801111 0.76 TDP1 (0.55) TDP1APPLTA4HALOX5
SCHEMBL3457158 0.74 ALDH1A1 (0.53) TDP1ALDH1A1
SCHEMBL25801125 0.74 SCN1A (0.54) TDP1APPLTA4HALOX5ALDH1A1
SCHEMBL25801123 0.74 SCN1A (0.54) TDP1APPLTA4HALOX5ALDH1A1
SCHEMBL25801116 0.74 TDP1 (0.54) TDP1APPLTA4HALOX5

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