SCHEMBL28780452

SCHEMBL28780452

FC(F)(F)Oc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
MAPT P10636 3/20 0.50
FAAH O00519 1/20 0.50
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GPR3 P46089 1/20 0.46
KCNH2 Q12809 2/20 0.46
SCN5A Q14524 2/20 0.46
SCN9A Q15858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LTA4H P09960 1/20 0.42
KIF11 P52732 1/20 0.42
PDE2A O00408 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
NR3C1 P04150 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
SCHEMBL254957 0.91 MAPT (0.56) EPHX2MAPTGPR3L3MBTL1KDM4E
SCHEMBL3306191 0.90 LTA4H (0.57) EPHX2MAPTFAAHSLC6A2SLC6A4
SCHEMBL7937983 0.90 GPR3 (0.47) EPHX2MAPTFAAHMMP2MMP9
SCHEMBL9589201 0.88 MEN1 (0.64) EPHX2MAPTFAAHMMP2MMP9
SCHEMBL633116 0.88 ALDH1A1 (0.64) EPHX2MAPTFAAHKCNH2SCN5A
SCHEMBL4307301 0.88 MEN1 (0.64) EPHX2MAPTFAAHMMP2MMP9
SCHEMBL14743240 0.88 TRPV1 (0.53) EPHX2MAPTFAAHMMP2MMP9
SCHEMBL7359993 0.88 EPHX2 (0.44) EPHX2MAPTFAAHMMP2MMP9
SCHEMBL14232686 0.88 EPHX2 (0.44) EPHX2MAPTFAAHMMP2MMP9
SCHEMBL13393735 0.88 TEAD4 (0.52) EPHX2MAPTFAAHMMP2MMP9

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-114702364-A Preparation method of polyfluoroalkyl aromatic hydrocarbon 闽都创新实验室 2022-07-05 CN disclosed