SCHEMBL11247546

SCHEMBL11247546

[CH2]COCC(OCCC)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
LMNA P02545 4/20 0.34
SCN1A P35498 3/20 0.34
SCN2A Q99250 3/20 0.34
SCN3A Q9NY46 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HRH2 P25021 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
SCHEMBL10887231 0.79 AOC3 (0.38) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL4871158 0.78 LMNA (0.43) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL28042231 0.76 SLC7A5 (0.41) LMNAOPRM1OPRK1HTR2AKCNH2
SCHEMBL8990271 0.75 GSR (0.47) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL28637395 0.75 HTT (0.39) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL24925628 0.75 GSR (0.47) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL9480361 0.75 AOC3 (0.40) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL28042425 0.75 HTR2A (0.41) LMNAOPRM1OPRK1HTR2AKCNH2
SCHEMBL13126325 0.74 ALDH1A1 (0.39) HTTLMNASCN1ASCN2ASCN3A
SCHEMBL28122302 0.74 ALDH1A1 (0.39) HTTLMNASCN1ASCN2ASCN3A

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-4332614-A HALOACETANILIDE ETHERS MONSANTO COMPANY (US) 1982-06-01 US disclosed