SCHEMBL13824070

SCHEMBL13824070

COC(=O)c1cccc(-c2cccc(F)c2F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.53
SLC6A4 P31645 3/20 0.53
CES2 O00748 1/20 0.48
BCHE P06276 1/20 0.48
CES1 P23141 1/20 0.48
PTPRC P08575 1/20 0.46
SLC6A2 P23975 1/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL19923176 0.93 SLC6A3 (0.59) SLC6A3SLC6A4PTPRCSLC6A2KMT2A
SCHEMBL20934241 0.92 SLC6A3 (0.59) SLC6A3SLC6A4CES2BCHECES1
SCHEMBL1340852 0.89 CES2 (0.61) SLC6A3SLC6A4CES2BCHECES1
SCHEMBL1401560 0.83 TSHR (0.57) SLC6A3SLC6A4PTPRCKMT2ASMN1; SMN2
SCHEMBL13824011 0.83 SLC6A3 (0.54) SLC6A3SLC6A4PTPRCSLC6A2KMT2A
SCHEMBL29021740 0.83 CES2 (0.53) SLC6A3SLC6A4CES2BCHECES1
SCHEMBL13824012 0.81 SLC6A3 (0.64) SLC6A3SLC6A4SLC6A2KMT2ASMN1; SMN2
SCHEMBL22261520 0.80 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2KMT2ASMN1; SMN2
SCHEMBL13824199 0.80 SLC6A3 (0.77) SLC6A3SLC6A4PTPRCSLC6A2KMT2A
SCHEMBL13824067 0.79 SLC6A3 (0.56) SLC6A3SLC6A4PTPRCSLC6A2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012150208-A1 USE OF SUBSTITUTED BENZYL ALCOHOL ESTERS OF CYCLOPROPANECARBOXYLIC ACID FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
WO-2012150221-A2 NOVEL HALOGENATED BENZYL ALCOHOL ESTERS OF CYCLOPROPANE CARBOXYLIC ACID AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed