SCHEMBL9308752

SCHEMBL9308752

CO/C=C(\C(=O)OC)c1ccccc1/C=C/c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPA1 O75762 1/20 0.40
RELA Q04206 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 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
SCHEMBL9308756 1.00 NFE2L2 (0.42) NFE2L2PTGS2KDM4ESMN1; SMN2TDP1
SCHEMBL8159482 0.91 BACE1 (0.43) NFE2L2BACE1TRPA1LMNACYP1A2
SCHEMBL8159487 0.91 BACE1 (0.43) NFE2L2BACE1TRPA1LMNACYP1A2
SCHEMBL29358897 0.89 TRPA1 (0.44) NFE2L2BACE1ALDH1A1TRPA1LMNA
SCHEMBL204249 0.89 TRPA1 (0.44) NFE2L2BACE1ALDH1A1TRPA1LMNA
SCHEMBL7170869 0.89 TRPA1 (0.44) NFE2L2BACE1ALDH1A1TRPA1LMNA
SCHEMBL7170865 0.89 TRPA1 (0.44) NFE2L2BACE1ALDH1A1TRPA1LMNA
SCHEMBL28354139 0.89 TRPA1 (0.44) NFE2L2BACE1ALDH1A1TRPA1LMNA
SCHEMBL6935295 0.89 TRPA1 (0.44) NFE2L2BACE1ALDH1A1TRPA1LMNA
SCHEMBL10358886 0.87 SNCA (0.45) NFE2L2MAOBMAOABACE1ALDH1A1

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-0203606-B1 DERIVATIVES OF STILBENE AND FUNGICIDES CONTAINING THESE COMPOUNDS BASF Aktiengesellschaft (DE) 1990-10-31 EP claimed
US-5366984-A Fungicides, insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-11-22 US disclosed
US-5294628-A Fungicides, insecticides, pesticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-15 US disclosed
EP-0378755-B1 Heterocyclically substituted alpha-aryl acryl acid methyl esters and their use BASF AG (DE) 1993-12-29 EP disclosed
US-5250553-A Fungicides; pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
US-5166216-A Fungicides, pesticides, insecticides BASF AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed