SCHEMBL13725409

SCHEMBL13725409

COC(=O)Oc1cccc(-c2ccccc2)c1CF

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL13726445 0.90 SLC6A4 (0.48) KDM4EHPGDHSD17B10LMNAMAPT
SCHEMBL13726199 0.87 TUBB4A (0.41) KDM4EHPGDHSD17B10DRD2DRD4
SCHEMBL13725467 0.84 KDM4E (0.44) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL1834873 0.81 KDM4E (0.61) KDM4EHPGDHSD17B10LMNAMAPK1
SCHEMBL17720783 0.79 KDM4E (0.54) KDM4EHPGDHSD17B10LMNAMAPK1
SCHEMBL13823879 0.77 SLC6A3 (0.55) KDM4EHPGDHSD17B10LMNAHTT
SCHEMBL17697649 0.75 BACE1 (0.49) KDM4EHPGDHSD17B10HTTMAPT
SCHEMBL6431615 0.74 KDM4E (0.51) KDM4EHPGDHSD17B10LMNAMAPK1
SCHEMBL27537935 0.74 ELANE (0.54) KDM4EHPGDHSD17B10L3MBTL1ALDH1A1
SCHEMBL6254697 0.74 KDM4E (0.63) KDM4EHPGDHSD17B10LMNAMAPK1

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-2012150221-A2 NOVEL HALOGENATED BENZYL ALCOHOL ESTERS OF CYCLOPROPANE CARBOXYLIC ACID AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 WO disclosed
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