SCHEMBL7685103

SCHEMBL7685103

Fc1ccccc1-c1c[c]ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSD11B1 P28845 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SCN9A Q15858 5/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
EPHX2 P34913 1/20 0.33
DHODH Q02127 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MPL P40238 1/20 0.32

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
SCHEMBL2686922 0.87 KCNN4 (0.39) KCNN4ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL6299215 0.81 GRIA4 (0.30)
SCHEMBL148186 0.79 EPHX2 (0.40) EPHX2
SCHEMBL20570250 0.78 ALDH1A1 (0.40) KCNN4ALDH1A1L3MBTL1HSD11B1FFAR4
SCHEMBL7678739 0.77 KCNN4 (0.45) KCNN4ALDH1A1POLBSLC6A2SLC6A4
SCHEMBL1205890 0.77 KDM4E (0.34) ALDH1A1L3MBTL1NPSR1KDM4EMAPT
SCHEMBL8849705 0.73 RORC (0.41) KCNN4ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL191542 0.73 EPHX2 (0.39) EPHX2
SCHEMBL16719327 0.73 ALDH1A1 (0.40) KCNN4ALDH1A1L3MBTL1HSD11B1FFAR4
SCHEMBL434024 0.73 KDM4E (0.34) ALDH1A1L3MBTL1NPSR1KDM4EMAPT

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
US-6476061-B1 Fungicides containing pyrrolidones as their active agents BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed