SCHEMBL434482

SCHEMBL434482

CC(C)C[CH]c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.44
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL435684 0.81 LMNA (0.34) MAPTALDH1A1HPGDHTR2AHTR2C
SCHEMBL5375815 0.79 NFE2L2 (0.50) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL434629 0.76 NFE2L2 (0.48) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1385780 0.75 NFE2L2 (0.50) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL18243918 0.74 NFE2L2 (0.46) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL18245497 0.74 NFE2L2 (0.48) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL8106391 0.71 NFE2L2 (0.46) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL9967725 0.71 NFE2L2 (0.55) NFE2L2PTGS1PTGS2GRIN2DGRIN3B
SCHEMBL16954210 0.70 NFE2L2 (0.42) NFE2L2MAPTMEN1HPGDKMT2A
SCHEMBL1384058 0.70 NFE2L2 (0.54) NFE2L2PTGS1PTGS2GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed