SCHEMBL9420064

SCHEMBL9420064

O=C(O)Oc1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.49
TRPA1 O75762 2/20 0.49
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
PLIN1 O60240 1/20 0.39

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
SCHEMBL9244563 0.86 NFE2L2 (0.59) NFE2L2TRPA1ESR1ESR2LMNA
SCHEMBL28636553 0.81 NFE2L2 (0.53) NFE2L2TRPA1CYP1A2
SCHEMBL1135893 0.81 NFE2L2 (0.56) NFE2L2TRPA1CYP1A2
SCHEMBL1135894 0.81 NFE2L2 (0.56) NFE2L2TRPA1CYP1A2
SCHEMBL29896073 0.81 NFE2L2 (0.56) NFE2L2TRPA1CYP1A2
Sulfuric Acid SCHEMBL29699491 0.81 NFE2L2 (0.49) NFE2L2TRPA1LMNACYP1A2HTT
Sulfuric Acid SCHEMBL1170799 0.81 NFE2L2 (0.49) NFE2L2TRPA1LMNACYP1A2HTT
Formaldehyde SCHEMBL9903686 0.80 NFE2L2 (0.51) NFE2L2TRPA1LMNACYP1A2PPARG
SCHEMBL2255765 0.79 NFE2L2 (0.47) NFE2L2TRPA1LMNAPPARG
Sulfuric Acid SCHEMBL29157758 0.79 NFE2L2 (0.47) NFE2L2TRPA1LMNACYP1A2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257533-B1 Aqueous fungicidal dispersions HOECHST AG (DE) 1994-01-19 EP disclosed
EP-0257533-A2 Aqueous fungicidal dispersions HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 EP disclosed