SCHEMBL3965409

SCHEMBL3965409

FC(F)(F)C1=C(Oc2ccc(C(F)(F)F)cc2)[CH]CC=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
SLC6A4 P31645 3/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
MAOB P27338 2/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AOC3 Q16853 1/20 0.32
KIF11 P52732 2/20 0.32
KCNH2 Q12809 3/20 0.31
HTR2A P28223 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL1685383 0.70 CA1 (0.52) LTA4HCA1CA2CA9PDE4A
SCHEMBL11148692 0.70 CA1 (0.52) LTA4HCA1CA2CA9PDE4A
SCHEMBL29377645 0.68 LTA4H (0.50) LTA4HCA1CA2CA9PDE4A
SCHEMBL7486133 0.64 MAOB (0.43) MAOB
SCHEMBL6991135 0.64 MAOB (0.50) MAOB
SCHEMBL254896 0.63 TSHR (0.59) LTA4HSLC6A4FNTAFNTBKIF11
SCHEMBL7938383 0.63 LTA4H (0.46) LTA4HCA1CA2CA9PDE4A
SCHEMBL6182001 0.63
SCHEMBL14677931 0.62 CA1 (0.36) LTA4HCA1CA2CA9SLC6A4
SCHEMBL5563927 0.62 LTA4H (0.37) LTA4HCA1CA2CA9PDE4A

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-2009046371-A1 METHODS OF TREATING METABOLIC DISEASES METABOLEX, INC. (US) 2009-04-09 WO disclosed