SCHEMBL9903685

SCHEMBL9903685

O=COc1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 10/20 0.50
▸ TRPA1 O75762 3/20 0.50
▸ LMNA P02545 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ CYP1A1 P04798 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP1B1 Q16678 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL12554067 0.86 NFE2L2 (0.61) NFE2L2TRPA1LMNACYP1A1CYP1A2
SCHEMBL12554070 0.86 NFE2L2 (0.61) NFE2L2TRPA1LMNACYP1A1CYP1A2
SCHEMBL29896073 0.82 NFE2L2 (0.56) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL1135894 0.82 NFE2L2 (0.56) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL1135893 0.82 NFE2L2 (0.56) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
Formaldehyde SCHEMBL9903686 0.81 NFE2L2 (0.51) NFE2L2TRPA1LMNAPPARGCYP1A1
(Z)-1,2-Diphenylethene SCHEMBL28729890 0.81 LMNA (0.52) NFE2L2TRPA1LMNAPPARGCYP1A2
SCHEMBL1194031 0.80 NFE2L2 (0.46) NFE2L2TRPA1ALDH1A1NR1H2KMT2A
Ethylene SCHEMBL3629631 0.79 NFE2L2 (0.53) NFE2L2TRPA1CYP1A1CYP1A2CYP1B1
SCHEMBL28636553 0.79 NFE2L2 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001289-B1 AQUEOUS MICROEMULSIONS CONTAINING PYRETHROID COMPOUNDS BASF SE (DE) 2012-06-13 — — EP claimed
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