SCHEMBL8849705

SCHEMBL8849705

Fc1c[c]cc(F)c1-c1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.41
KCNN4 O15554 1/20 0.41
SCN9A Q15858 3/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD11B1 P28845 1/20 0.39
MPL P40238 1/20 0.39
DHODH Q02127 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38
MAP2 P11137 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL28532110 0.83 GPR3 (0.36) RORCKCNN4SCN9AALOX5APFEN1
SCHEMBL14744380 0.78 ALOX5AP (0.47) RORCKCNN4SCN9AALOX5APFEN1
SCHEMBL7701143 0.77 ALDH1A1 (0.50) KCNN4SCN9AALOX5APFEN1ALDH1A1
SCHEMBL7685103 0.73 KCNN4 (0.42) KCNN4SCN9AALOX5APFEN1ALDH1A1
SCHEMBL699801 0.71 FFAR4 (0.47) KCNN4SCN9AALOX5APFEN1ALDH1A1
SCHEMBL3543334 0.71 SCN9A (0.46) SCN9AALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL8849701 0.71 SCN9A (0.40) KCNN4SCN9AALOX5APFEN1ALDH1A1
SCHEMBL29635691 0.71 EPHX2 (0.43) KCNN4ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL255271 0.71 EPHX2 (0.43) KCNN4ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL1840269 0.70 SCN9A (0.43) KCNN4SCN9AALDH1A1L3MBTL1HSD11B1

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
EP-0812539-A1 Synergistic herbicidal compositions ROHM AND HAAS COMPANY (US) 1997-12-17 EP claimed