SCHEMBL28116022

SCHEMBL28116022

CCc1c(O)c(OC)c(CC)c(CC)c1CC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.33
PTGS2 P35354 1/20 0.33
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.31
CYP3A4 P08684 1/20 0.31
IMPDH2 P12268 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
CA1 P00915 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL5587793 0.93 ALOX5 (0.33) ALOX5PTGS2CA2CA4TDP1
SCHEMBL25329798 0.87 PTGS2 (0.34) ALOX5PTGS2CA2CA4TDP1
SCHEMBL5588494 0.83 TDP1 (0.36) ALOX5PTGS2CA2CA4TDP1
SCHEMBL25327553 0.81 IMPDH2 (0.36) ALOX5PTGS2IMPDH2
SCHEMBL5587802 0.80 IMPDH2 (0.34) TDP1MAPTIMPDH2PDE4APDE4B
SCHEMBL25329338 0.79 IMPDH2 (0.44) ALOX5IMPDH2
SCHEMBL25328660 0.79 ALOX5 (0.34) ALOX5PTGS2IMPDH2
SCHEMBL17431561 0.78 IMPDH2 (0.37) ALOX5PTGS2CA2CA4TDP1
SCHEMBL2956027 0.78 PTGS2 (0.42) PTGS2CA2CA4CA1CA6
SCHEMBL5588507 0.76 IMPDH2 (0.34) TDP1MAPTIMPDH2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117025443-A A tetrabipyridis halophilus derived from soy brewing system with excellent stress tolerance and high yield of tetraethylguaiacol 江南大学 2023-11-10 CN claimed
CN-118931790-A Bacillus belicus and application thereof 泸州老窖股份有限公司 2024-11-12 CN disclosed
CN-118931790-A Bacillus belicus and application thereof 泸州老窖股份有限公司 2024-11-12 CN disclosed
CN-118459321-A Method for obtaining C6 monophenol by selectively hydrogenolyzing lignin 东南大学 2024-08-09 CN disclosed
CN-118122361-A Method for preparing C2-phenol monomer by hydrogenolysis of lignin by using nickel-based alkaline carrier catalyst 东南大学 2024-06-04 CN disclosed
CN-118122361-A Method for preparing C2-phenol monomer by hydrogenolysis of lignin by using nickel-based alkaline carrier catalyst 东南大学 2024-06-04 CN disclosed
CN-117025443-A A tetrabipyridis halophilus derived from soy brewing system with excellent stress tolerance and high yield of tetraethylguaiacol 江南大学 2023-11-10 CN disclosed
CN-117025443-A A tetrabipyridis halophilus derived from soy brewing system with excellent stress tolerance and high yield of tetraethylguaiacol 江南大学 2023-11-10 CN disclosed
CN-117025443-A A tetrabipyridis halophilus derived from soy brewing system with excellent stress tolerance and high yield of tetraethylguaiacol 江南大学 2023-11-10 CN disclosed
CN-106235261-A A kind of preparation method without adding series soy sauce 广东美味鲜调味食品有限公司 2016-12-21 CN disclosed