SCHEMBL25801111

SCHEMBL25801111

CCCCN(CCC(=O)OCCc1ccccc1)CCC(=O)OCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
DRD2 P14416 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
ALOX5 P09917 2/20 0.49
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
APP P05067 1/20 0.49
LTA4H P09960 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CTSK P43235 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
ICMT O60725 1/20 0.46

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 0.99 TDP1 (0.54) TDP1DRD2OPRM1DRD3OPRD1
SCHEMBL25801112 0.95 KCNH2 (0.54) TDP1DRD2OPRM1DRD3OPRD1
SCHEMBL25801119 0.95 KCNH2 (0.54) TDP1DRD2OPRM1DRD3OPRD1
SCHEMBL25801125 0.90 SCN1A (0.54) TDP1OPRM1DRD3ALOX5APP
SCHEMBL25801123 0.90 SCN1A (0.54) TDP1OPRM1DRD3ALOX5APP
SCHEMBL25801192 0.89 KCNH2 (0.55) TDP1OPRM1DRD3ALOX5APP
SCHEMBL25801115 0.88 TDP1 (0.54) TDP1ALOX5APPLTA4H
SCHEMBL25801122 0.87 TDP1 (0.57) TDP1OPRM1DRD3ALOX5APP
SCHEMBL25801124 0.86 TDP1 (0.55) TDP1ALOX5APPLTA4H
SCHEMBL873120 0.85 TDP1 (0.66) TDP1ALOX5APPCTSK

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