SCHEMBL29029033

SCHEMBL29029033

CCCCCCCCC=CCCCCCCCCOCCCNOC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.54
CES1 P23141 2/20 0.54
CNR2 P34972 2/20 0.50
CES2 O00748 1/20 0.49
EPHX2 P34913 4/20 0.48
ALDH1A1 P00352 1/20 0.48
PLA2G4B P0C869 1/20 0.48
MAPT P10636 1/20 0.48
PLA2G4A P47712 1/20 0.48
BLM P54132 1/20 0.48
MGLL Q99685 1/20 0.48
PLA2G4C Q9UP65 1/20 0.48
CNR1 P21554 1/20 0.45

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
SCHEMBL28450381 0.92 FAAH (0.56) FAAHCES1CNR2EPHX2ALDH1A1
SCHEMBL23001139 0.83 EPHX1 (0.55) FAAHCES1CES2
SCHEMBL23001151 0.83 EPHX1 (0.55) FAAHCES1CES2
SCHEMBL27754917 0.80 FAAH (0.45) FAAHCES1CES2
SCHEMBL28365424 0.79 FAAH (0.58) FAAHCES1CES2EPHX2ALDH1A1
SCHEMBL29152606 0.79 EPHX1 (0.50) FAAHCES1CES2ALDH1A1
SCHEMBL8814323 0.79 FAAH (0.58) FAAHCES1CES2EPHX2ALDH1A1
Acetic Acid SCHEMBL5733584 0.78 TERT (0.58) FAAHEPHX2MAPTBLM
Acetic Acid SCHEMBL5733588 0.78 TERT (0.58) FAAHEPHX2MAPTBLM
SCHEMBL6032015 0.76 FAAH (0.49) FAAHCES1CES2EPHX2ALDH1A1

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
CN-116367841-A Nucleoside-containing siRNA for treating viral diseases 圣诺制药公司 2023-06-30 CN disclosed