SCHEMBL28247306

SCHEMBL28247306

COc1c(C)c(C)c(C)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 8/20 0.40
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 3/20 0.35
MAPT P10636 2/20 0.35
PSMG3 Q9BT73 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
IMPDH1 P20839 1/20 0.33
PTGS2 P35354 1/20 0.32
PIM1 P11309 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL5516691 0.94 TDP1 (0.39) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL5587645 0.92 IMPDH2 (0.39) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL1635332 0.88 IMPDH2 (0.37) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL12143217 0.88 TDP1 (0.46) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL14089301 0.86 TDP1 (0.40) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL18090614 0.85 TDP1 (0.38) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL2798555 0.81 TDP1 (0.39) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL5586795 0.80 TDP1 (0.40) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL5587649 0.78 IMPDH2 (0.42) IMPDH2TDP1CYP3A4MAPTPSMG3
SCHEMBL85826 0.77 ACHE (0.38) TDP1CYP3A4MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483256-A A kind of method of metallic nickel Catalytic lignin model object vanillic aldehyde hydrogenation deoxidation UNIV TIANJIN TECHNOLOGY 2019-11-22 CN claimed
CN-108671947-B Ni for hydrodeoxygenation of bio-oil2P/reduced graphene oxide catalyst and preparation method thereof 西安石油大学 2021-02-02 CN disclosed
CN-110483256-A A kind of method of metallic nickel Catalytic lignin model object vanillic aldehyde hydrogenation deoxidation UNIV TIANJIN TECHNOLOGY 2019-11-22 CN disclosed
CN-110483256-A A kind of method of metallic nickel Catalytic lignin model object vanillic aldehyde hydrogenation deoxidation UNIV TIANJIN TECHNOLOGY 2019-11-22 CN disclosed
CN-110354857-A A kind of preparation method and applications of Ni-based heterogeneous catalyst are in catalysis aldehyde compound hydrogenation deoxidation reaction 天津理工大学 2019-10-22 CN disclosed
CN-108671947-A Ni for biological oil hydrodeoxygenation reaction2P/ redox graphene catalyst and preparation method thereof 西安石油大学 2018-10-19 CN disclosed