SCHEMBL16954064

SCHEMBL16954064

O[CH]c1cccc(F)c1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
NFE2L2 Q16236 5/20 0.35
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
CETP P11597 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
EPHX2 P34913 1/20 0.30
KAT6A Q92794 1/20 0.30

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
SCHEMBL16959030 0.83 NFE2L2 (0.34) ERN1NFE2L2
SCHEMBL28949165 0.83 ERN1 (0.48) ERN1NFE2L2HCRTR1HCRTR2
SCHEMBL29980534 0.83 ERN1 (0.48) ERN1NFE2L2HCRTR1HCRTR2
SCHEMBL8727533 0.81 EPAS1 (0.34) HCRTR1HCRTR2TRPV1SCN8ASCN10A
SCHEMBL16959166 0.81 CA2 (0.42) ERN1
SCHEMBL16951128 0.81 GAA (0.36) NFE2L2GRIN1GRIN2B
SCHEMBL16955869 0.79 ALDH1A1 (0.32)
SCHEMBL16957157 0.79 TRPV1 (0.35) TRPV1
SCHEMBL16955011 0.79 SCN8A (0.38) SCN8ASCN10A
SCHEMBL16957089 0.79 HSD11B1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed