SCHEMBL11420344

SCHEMBL11420344

OCc1c(F)ccc(-c2ccccc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
GPR17 Q13304 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PTGER2 P43116 1/20 0.37
BACE1 P56817 1/20 0.37
PTGS1 P23219 3/20 0.37
MEN1 O00255 2/20 0.37
PTGS2 P35354 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 2/20 0.37
FABP2 P12104 1/20 0.37
TSHR P16473 1/20 0.37
AKR1C4 P17516 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL10990692 0.82 ALOX5AP (0.37) NR4A2GPR17ALOX5APFEN1PTGER2
SCHEMBL13724933 0.81 PTGS1 (0.35) NR4A2GPR17BACE1PTGS1MEN1
SCHEMBL28433870 0.81 PDCD1 (0.50) PTGER2PTGS1MEN1PTGS2KMT2A
SCHEMBL3833453 0.78 BACE1 (0.40) BACE1PTGS1MEN1PTGS2KMT2A
SCHEMBL1685615 0.76 ALOX5AP (0.47) ALOX5APFEN1BACE1PTGS1MEN1
SCHEMBL11424080 0.76 ALDH1A1 (0.47) GPR17PTGER2BACE1PTGS1MEN1
SCHEMBL30368120 0.75 CES2 (0.37) NR4A2MEN1KMT2A
SCHEMBL702012 0.75 CES2 (0.37) NR4A2MEN1KMT2A
SCHEMBL5663303 0.75 BACE1 (0.48) BACE1KMT2AHPGDTSHRALOX5
SCHEMBL10533047 0.75 ALOX5AP (0.53) ALOX5APFEN1BACE1PTGS1MEN1

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 3 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
US-4238505-A HIGH TOXICITY FMC CORPORATION (US) 1980-12-09 US disclosed