SCHEMBL9607090

SCHEMBL9607090

CCOC(=O)/C=C(/Nc1ccc(OC)c(F)c1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
ABL1 P00519 5/20 0.41
EPHX2 P34913 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9607492 0.91 POLB (0.43) PPARAPPARGABL1EPHX2MEN1
SCHEMBL9607414 0.84 TRPV1 (0.47) PPARAPPARGABL1EPHX2MEN1
SCHEMBL9607506 0.83 EPHX2 (0.45) PPARAPPARGEPHX2MAPTPOLB
SCHEMBL9607091 0.83 EPHX2 (0.45) PPARAPPARGEPHX2MAPTPOLB
SCHEMBL8515707 0.78 KMT2A (0.44) PPARAABL1EPHX2MEN1KMT2A
SCHEMBL9607177 0.77 KMT2A (0.50) ABL1EPHX2MEN1KMT2AMAPT
SCHEMBL9607491 0.76 HTR1D (0.43) EPHX2MEN1KMT2AMAPTKCNH2
SCHEMBL28551944 0.72 MAPT (0.55) MEN1GAAKMT2AMAPTPOLB
SCHEMBL8535567 0.71 SMN1; SMN2 (0.49) MEN1GAAKMT2AMAPTPOLB
SCHEMBL8535569 0.71 SMN1; SMN2 (0.49) MEN1GAAKMT2AMAPTPOLB

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-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed