SCHEMBL3832036

SCHEMBL3832036

O=P(OC=Cc1ccccc1)(OC=Cc1ccccc1)Oc1ccccc1C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.51
TRPA1 O75762 3/20 0.51
SRC P12931 2/20 0.39
CYP1A1 P04798 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1B1 Q16678 3/20 0.39
CYP19A1 P11511 1/20 0.36
LMNA P02545 2/20 0.36
PPARG P37231 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 2/20 0.35
MAPK1 P28482 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL9019348 0.89 NFE2L2 (0.59) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL1398210 0.79 MAOB (0.44) NFE2L2TRPA1CYP1A2CYP19A1LMNA
SCHEMBL30579741 0.79 SRC (0.64) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL3994776 0.79 SRC (0.64) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL26127172 0.78 PPARG (0.44) NFE2L2TRPA1SRCLMNAPPARG
SCHEMBL5606227 0.75 PPARG (0.44) NFE2L2TRPA1SRCLMNAPPARG
SCHEMBL5607317 0.75 PPARG (0.44) NFE2L2TRPA1SRCLMNAPPARG
Phosphoric Acid SCHEMBL22721325 0.73 NFE2L2 (0.58) NFE2L2TRPA1SRCCYP1A1CYP1A2
SCHEMBL28030371 0.73 TRPA1 (0.42) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
Phosphoric Acid SCHEMBL28136990 0.72 NFE2L2 (0.56) NFE2L2TRPA1SRCCYP1A1CYP1A2

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-1395115-A4 EMULSIFIABLE CONCENTRATE OF A WATER-INSOLUBLE FUNGICIDE ISP INVESTMENTS INC (US) 2004-08-11 EP claimed
EP-1395115-A1 EMULSIFIABLE CONCENTRATE OF A WATER-INSOLUBLE FUNGICIDE ISP INVESTMENTS INC. (US) 2004-03-10 EP claimed
WO-2002091828-A1 EMULSIFIABLE CONCENTRATE OF A WATER-INSOLUBLE FUNGICIDE ISP INVESTMENTS INC. (US) 2002-11-21 WO claimed
US-6355675-B1 CONTAINING ANIONIC SURFACTANT, WATER INSOLUBLE SOLVENTS ISP INVESTMENTS INC. 2002-03-12 US claimed
EP-1395115-B1 EMULSIFIABLE CONCENTRATE OF A WATER-INSOLUBLE FUNGICIDE ISP INVESTMENTS INC (US) 2009-09-16 EP disclosed
US-6355675-B1 CONTAINING ANIONIC SURFACTANT, WATER INSOLUBLE SOLVENTS ISP INVESTMENTS INC. 2002-03-12 US disclosed