SCHEMBL13725344

SCHEMBL13725344

COC(=O)Oc1ccc(F)c(-c2ccccc2)c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
FFAR4 Q5NUL3 1/20 0.36
ACLY P53396 3/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CTSA P10619 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL13725633 0.82 KDM4E (0.47) HSD17B10KDM4EHPGDFFAR4ACLY
SCHEMBL13725485 0.81 KDM4E (0.46) HSD17B10KDM4EHPGDACLYFABP3
SCHEMBL13725409 0.69 KDM4E (0.49) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL15454164 0.68 HPGD (0.59) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL13824077 0.68 HTT (0.46) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL9754829 0.68 KDM4E (0.44) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18182129 0.67 HPGD (0.54) HSD17B10KDM4EHPGDALDH1A1MEN1
SCHEMBL17720783 0.67 KDM4E (0.54) HSD17B10KDM4EHPGDFABP3FABP4
SCHEMBL1834873 0.66 KDM4E (0.61) HSD17B10KDM4EHPGDFABP3FABP5
SCHEMBL11925422 0.65 KDM4E (0.70) HSD17B10KDM4EHPGDALDH1A1KMT2A

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