SCHEMBL28215299

SCHEMBL28215299

Cc1ccc(OC(F)(F)F)c(CC(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
EPHX2 P34913 1/20 0.40
SCN9A Q15858 4/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
ICMT O60725 2/20 0.38
SLC13A5 Q86YT5 1/20 0.36
HTR2A P28223 1/20 0.36
PPARD Q03181 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10562329 0.82 FFAR4 (0.45) EPHX2SCN9ASLC6A4SLC6A2
SCHEMBL30186776 0.81 PLA2G2D (0.41) MAPK8SLC6A4SLC13A5HTR2APLA2G2D
SCHEMBL7887703 0.81 MAPK8 (0.56) MAPK8EPHX2SLC13A5HPGD
SCHEMBL16956735 0.80 KDM4E (0.40) EPHX2SLC6A4SLC13A5HTR2AKCNK3
SCHEMBL28161449 0.79 EPHX2 (0.38) EPHX2SCN9ASLC6A4SLC6A2ICMT
SCHEMBL9071417 0.79 GRM2 (0.39) EPHX2SCN9ASLC6A4SLC13A5HTR2A
SCHEMBL21771920 0.78 LMNA (0.46) MAPK8SLC6A4ICMTHTR2A
SCHEMBL10565876 0.78 GRIN2B (0.48) EPHX2SCN9A
SCHEMBL28040904 0.77 AKR1C3 (0.44) EPHX2
SCHEMBL10252150 0.76 MBOAT4 (0.45) MAPK8EPHX2SCN9ASLC6A4SLC6A2

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-108025189-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-05-11 CN disclosed