SCHEMBL28136118

SCHEMBL28136118

COc1[c]c(OC)c(-c2ccccc2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.42
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
HK2 P52789 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL6183394 0.75 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1069430 0.74 ALDH1A1 (0.43) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7198230 0.73 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DHK2
SCHEMBL744322 0.72 ACHE (0.44) ALDH1A1HPGDKDM4ECYP3A4GAA
SCHEMBL17924581 0.71 SMN1; SMN2 (0.54) ALDH1A1HPGDKDM4ECYP3A4CA12
SCHEMBL17930919 0.71 CNR2 (0.50) PDE4BPDE4APDE4CPDE4DHK2
SCHEMBL5951260 0.71 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2302753 0.71 ACHE (0.38) CYP3A4CA9MAPT
SCHEMBL7820403 0.70 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL4416926 0.69 MAPT (0.45) PDE4BPDE4APDE4CPDE4DHK2

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
CN-106659204-A sweetener composition 奇华顿股份有限公司 2017-05-10 CN claimed
CN-106659204-A sweetener composition 奇华顿股份有限公司 2017-05-10 CN disclosed