SCHEMBL8728512

SCHEMBL8728512

[CH2]OC(=O)NCCc1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL8728521 0.90 CA12 (0.49) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL21510393 0.85 KDM4E (0.52) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL21510386 0.85 ADRB2 (0.49) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL8726926 0.85 ADRB2 (0.47) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL9404939 0.80 ADRB2 (0.49) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL9404905 0.79 ADRB2 (0.48) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL9405021 0.79 ADRB2 (0.54) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL9404992 0.76 KDM4E (0.51) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL9404892 0.75 LMNA (0.50) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL9751110 0.75 TRPV1 (0.48) ADRB2ADRA2ADRD2ADRA2CDRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP claimed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP claimed