SCHEMBL22748673

SCHEMBL22748673

CCCCCCCCCCC(C)(C)CCn1ccc(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
CNR2 P34972 4/20 0.40
TLR8 Q9NR97 1/20 0.39
MGLL Q99685 4/20 0.39
PLA2G4A P47712 1/20 0.37
RAF1 P04049 1/20 0.37
GRM2 Q14416 1/20 0.36
GRK6 P43250 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL22748589 1.00 CNR1 (0.40) CNR1CNR2TLR8MGLLPLA2G4A
SCHEMBL22748742 0.89 MGLL (0.40) CNR1CNR2TLR8MGLLPLA2G4A
SCHEMBL22748736 0.89 MGLL (0.40) CNR1CNR2TLR8MGLLPLA2G4A
SCHEMBL22748639 0.89 MGLL (0.40) CNR1CNR2TLR8MGLLPLA2G4A
SCHEMBL22748595 0.89 MGLL (0.40) CNR1CNR2TLR8MGLLPLA2G4A
SCHEMBL22748674 0.86 PLA2G4A (0.46) CNR1PLA2G4ATP53MAPTTSHR
SCHEMBL22748657 0.86 PLA2G4A (0.46) CNR1PLA2G4ATP53MAPTTSHR
SCHEMBL28251168 0.85 CNR1 (0.52) CNR1TLR8MGLLPLA2G4AGRM2
SCHEMBL22748687 0.85 CNR1 (0.52) CNR1TLR8MGLLPLA2G4AGRM2
SCHEMBL22748584 0.80 MGLL (0.39) CNR1CNR2TLR8MGLLPLA2G4A

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