SCHEMBL9768039

SCHEMBL9768039

O=C(CNCCc1ccc(O)c(O)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ADRB2 P07550 3/20 0.58
DRD1 P21728 3/20 0.58
DRD3 P35462 3/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
PTGS2 P35354 1/20 0.58
HRH1 P35367 1/20 0.58
OPRK1 P41145 1/20 0.58
SLC6A3 Q01959 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58

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
SCHEMBL9768036 0.85 PTGS2 (0.55) GAAKMT2AMEN1ADRB2DRD1
Hydrochloric Acid SCHEMBL28259669 0.84 ERCC1 (0.61) GAAKMT2AMEN1ERCC1ERCC4
SCHEMBL29777347 0.83 MAPT (0.58) GAAKMT2AMEN1ADRB2DRD1
SCHEMBL11017571 0.83 MAPT (0.58) GAAKMT2AMEN1ADRB2DRD1
SCHEMBL10908415 0.79 ADRB2 (0.87) GAAKMT2AADRB2DRD1DRD3
SCHEMBL1025737 0.79 CA12 (0.50) GAAKMT2AMAPTALDH1A1HPGD
SCHEMBL30668181 0.79 MEN1 (0.82) GAAKMT2AMEN1ERCC1ERCC4
SCHEMBL26292973 0.78 MAPT (0.66) GAAKMT2AMEN1ADRB2DRD1
SCHEMBL11130585 0.78 ADRB2 (0.63) KMT2AMEN1ADRB2MAPTKDM4E
SCHEMBL28773631 0.78 MAPT (0.53) GAAKMT2AMEN1ADRB2DRD1

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
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed