SCHEMBL9798136

SCHEMBL9798136

COc1cccc(/C=C/c2ccccc2C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.62
BCHE P06276 1/20 0.58
MAOB P27338 3/20 0.58
MAOA P21397 1/20 0.58
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP1B1 Q16678 1/20 0.55
FOS P01100 1/20 0.55
JUN P05412 1/20 0.55
NR1H3 Q13133 1/20 0.54
RELA Q04206 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
GRIK1 P39086 1/20 0.51
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51

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
SCHEMBL30749687 1.00 NFE2L2 (0.62) NFE2L2BCHEMAOBMAOACYP1A1
SCHEMBL10496422 1.00 NFE2L2 (0.62) NFE2L2BCHEMAOBMAOACYP1A1
SCHEMBL2400866 0.89 NFE2L2 (0.56) NFE2L2BCHEMAOBMAOACYP1A1
SCHEMBL2400863 0.89 NFE2L2 (0.56) NFE2L2BCHEMAOBMAOACYP1A1
SCHEMBL28089618 0.87 NFE2L2 (0.61) NFE2L2BCHEMAOBMAOACYP1A1
SCHEMBL10496482 0.85 ALDH1A1 (0.63) NFE2L2MAOBMAOARELAMEN1
SCHEMBL11687899 0.85 NFE2L2 (0.55) NFE2L2BCHEMAOBMAOACYP1A1
SCHEMBL9798901 0.85 ALDH1A1 (0.63) NFE2L2MAOBMAOARELAMEN1
SCHEMBL28346344 0.85 NFE2L2 (0.55) NFE2L2BCHEMAOBMAOACYP1A1
SCHEMBL11687908 0.85 NFE2L2 (0.55) NFE2L2BCHEMAOBMAOACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275501-B1 PROCESS FOR THE PREPARATION OF (Z)-2-(2-ARYLETHENYL)-ARYLCARBOXYLIC ACIDS BASF Aktiengesellschaft (DE) 1991-03-06 EP disclosed
US-4857658-A Preparation of (Z)-2-(2-arylethenyl)arylcarboxylic acids BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0275501-A1 Process for the preparation of (Z)-2-(2-arylethenyl)-arylcarboxylic acids BASF Aktiengesellschaft (DE) 1988-07-27 EP disclosed