SCHEMBL434629

SCHEMBL434629

CC(C)C[CH]c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.48
GAA P10253 1/20 0.39
TRPA1 O75762 1/20 0.38
RELA Q04206 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3713124 0.78 NFE2L2 (0.56) NFE2L2TRPA1RELAGRIN2DGRIN3B
SCHEMBL434482 0.76 NFE2L2 (0.44) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9045807 0.73 GABRA1 (0.45)
SCHEMBL5833284 0.73 GABRA1 (0.35) MAPT
SCHEMBL23457275 0.73 NFE2L2 (0.56) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4890473 0.72 NFE2L2 (0.50) NFE2L2TRPA1RELAGRIN2DGRIN3B
SCHEMBL4817482 0.72 SMPD2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3712847 0.71 NFE2L2 (0.54) NFE2L2RELAGRIN2DGRIN3BGRIN1
SCHEMBL1759710 0.71 NFE2L2 (0.54) NFE2L2TRPA1GRIN2DGRIN3BGRIN1
SCHEMBL4196373 0.71 NFE2L2 (0.48) NFE2L2TRPA1RELAGRIN2DGRIN3B

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-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed