SCHEMBL7055202

SCHEMBL7055202

N#Cc1cccc(CCC(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 1/20 0.51
CES1 P23141 4/20 0.45
FAAH O00519 3/20 0.45
CNR1 P21554 1/20 0.45
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.42
VNN1 O95497 1/20 0.42
FOLH1 Q04609 1/20 0.42
GSK3B P49841 1/20 0.42
PLA2G4A P47712 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL7335965 0.82 FFAR1 (0.57) FFAR1FFAR4CNR1MEP1AMEP1B
SCHEMBL3491515 0.81 FFAR1 (0.72) FFAR1FFAR4CNR1LMNA
SCHEMBL6364918 0.80 FFAR1 (0.55) FFAR1FFAR4CNR1MEP1AMEP1B
SCHEMBL2411845 0.80 FFAR1 (0.55) FFAR1FFAR4CNR1MEP1AMEP1B
SCHEMBL934610 0.80 FFAR1 (0.55) FFAR1FFAR4CNR1MEP1AMEP1B
Trifluoroacetic Acid SCHEMBL3750230 0.79 FFAR1 (0.49) FFAR1FFAR4CNR1MEP1AMEP1B
SCHEMBL10431231 0.78 CES1 (0.50) CES1FAAHPLA2G4A
SCHEMBL27322168 0.77 FFAR1 (0.52) FFAR1FFAR4FAAHCNR1MEP1A
SCHEMBL2154019 0.76 GLA (0.53) FFAR1FFAR4CNR1MEP1AMEP1B
SCHEMBL17546408 0.76 FFAR1 (0.51) FFAR1FFAR4CNR1MEP1AMEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307429-A1 PROCESS FOR ASYMMETRIC SYNTHESIS OF SUBSTITUTED 1,4-DIHYDROPYRIDINES AstraZeneca AB (SE) 2003-05-07 EP disclosed
EP-1307420-A1 PROCESS FOR SYNTHESIS OF $g(a),$g(b)-UNSATURATED KETONES AstraZeneca AB (SE) 2003-05-07 EP disclosed
WO-2002010134-A1 PROCESS FOR ASYMMETRIC SYNTHESIS OF SUBSTITUTED 1,4-DIHYDROPYRIDINES ASTRAZENECA AB (SE) 2002-02-07 WO disclosed
WO-2002010103-A1 PROCESS FOR SYNTHESIS OF α,β-UNSATURATED KETONES ASTRAZENECA AB (SE) 2002-02-07 WO disclosed