SCHEMBL9019348

SCHEMBL9019348

O=P(Oc1ccccc1/C=C/c1ccccc1)(Oc1ccccc1/C=C/c1ccccc1)Oc1ccccc1/C=C/c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.59
TRPA1 O75762 3/20 0.59
SRC P12931 2/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP1B1 Q16678 3/20 0.44
MAOB P27338 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX5 P09917 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HDAC1 Q13547 1/20 0.38
SNCA P37840 1/20 0.38

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
SCHEMBL3832036 0.89 NFE2L2 (0.51) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL3994776 0.86 SRC (0.64) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL30579741 0.86 SRC (0.64) NFE2L2TRPA1SRCCYP1A1CYP1A2
Phosphoric Acid SCHEMBL22721325 0.80 NFE2L2 (0.58) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL17768880 0.80 NFE2L2 (0.41) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL6373127 0.80 NFE2L2 (0.41) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL7210051 0.79 SRC (0.46) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL7210055 0.79 SRC (0.46) NFE2L2TRPA1SRCCYP1A1CYP1A2
Phosphoric Acid SCHEMBL28136990 0.79 NFE2L2 (0.56) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL1654497 0.78 NFE2L2 (0.70) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475392-B1 Herbicidal composition ISHIHARA SANGYO KAISHA (JP) 1996-03-20 EP disclosed
EP-0462585-B1 Herbicidal composition ISHIHARA SANGYO KAISHA (JP) 1996-01-17 EP disclosed
US-5434123-A Herbicidal composition comprising glyphosate and 1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-trifluoromethyl-2-pyridylsulfonyl)urea ISHIHARA SANGYO KAISHA, LTD. (JP) 1995-07-18 US disclosed
US-5391539-A Synergistic, pre- or postemergence ISHIHARA SANGYO KAISHA, LTD. (JP) 1995-02-21 US disclosed
EP-0475392-A2 Herbicidal composition ISHIHARA SANGYO KAISHA, Ltd. (JP) 1992-03-18 EP disclosed
EP-0462585-A1 Herbicidal composition ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-12-27 EP disclosed