SCHEMBL9768276

SCHEMBL9768276

CCNCC(O)c1ccc(O)c(O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRB2 P07550 9/20 0.42
ADRB1 P08588 8/20 0.42
ADRB3 P13945 1/20 0.42
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
GALR3 O60755 1/20 0.41
DRD3 P35462 2/20 0.36
AOC3 Q16853 1/20 0.35
ADRA1B P35368 1/20 0.35
SLC22A3 O75751 1/20 0.35
BCHE P06276 1/20 0.35
TYR P14679 1/20 0.35
ACHE P22303 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL28535211 0.84 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL6399196 0.80 ADRB3 (0.45) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL6246174 0.75 ADRB1 (0.40) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL6259255 0.72 ADRB2 (0.55) ADRB2ADRB1
SCHEMBL6258471 0.70 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL6259212 0.70 ADRB2 (0.57) ADRB2ADRB1ADRB3
SCHEMBL6262196 0.70 ADRB2 (0.40) ADRB2ADRB1ADRB3
SCHEMBL9768329 0.70 ADRB2 (0.43) ADRB2ADRB1LMNADRD3
SCHEMBL28067345 0.67 ADRB2 (0.69) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL25100811 0.66 MAPT (0.69) ADRA2AADRA2BADRA2CADRA1AADRB2

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