SCHEMBL22748670

SCHEMBL22748670

CCCCCCCCCC(F)(F)Cn1ccc(C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.39
PLA2G4A P47712 1/20 0.37
TLR8 Q9NR97 1/20 0.37
GRM2 Q14416 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.35
MLYCD O95822 1/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 1/20 0.35
CES2 O00748 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 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
SCHEMBL22748584 1.00 MGLL (0.39) MGLLPLA2G4ATLR8GRM2CNR1
SCHEMBL22748595 0.86 MGLL (0.40) MGLLPLA2G4ATLR8GRM2CNR1
SCHEMBL22748736 0.86 MGLL (0.40) MGLLPLA2G4ATLR8GRM2CNR1
SCHEMBL22748639 0.86 MGLL (0.40) MGLLPLA2G4ATLR8GRM2CNR1
SCHEMBL22748742 0.86 MGLL (0.40) MGLLPLA2G4ATLR8GRM2CNR1
SCHEMBL22748567 0.86 PLA2G4A (0.46) PLA2G4ACNR1CES2
SCHEMBL22748698 0.86 PLA2G4A (0.46) PLA2G4ACNR1CES2
SCHEMBL22748589 0.80 CNR1 (0.40) MGLLPLA2G4ATLR8GRM2CNR1
SCHEMBL22748673 0.80 CNR1 (0.40) MGLLPLA2G4ATLR8GRM2CNR1
SCHEMBL22748687 0.80 CNR1 (0.52) MGLLPLA2G4ATLR8GRM2CNR1

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
WO-2020245291-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed