SCHEMBL11083363

SCHEMBL11083363

O=C1Cc2cccc(Oc3ccc4ccccc4c3)c2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.45
GAA P10253 1/20 0.45
RCE1 Q9Y256 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
EIF2AK2 P19525 1/20 0.44
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PDK2 Q15119 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ALOX5 P09917 1/20 0.38
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37

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
SCHEMBL11088168 0.84 AHR (0.56) AHRGAAEIF2AK2PDK2LMNA
SCHEMBL11094233 0.82 AHR (0.59) AHREIF2AK2PDK2TDP2CASP3
SCHEMBL11084619 0.80 AHR (0.47) AHRGAAPDK2LMNAMAPT
SCHEMBL11093435 0.76 AHR (0.43) AHREIF2AK2LMNAMAPTHTT
SCHEMBL11091415 0.75 AHR (0.49) AHRGAAPDK2MAPTHTT
SCHEMBL11094002 0.75 AHR (0.49) AHRGAARCE1EIF2AK2PDK2
SCHEMBL11089493 0.75 AHR (0.71) AHRPDK2TDP2CASP3CASP7
SCHEMBL11096499 0.72 AHR (0.66) AHRPDK2TDP2CASP3CASP7
SCHEMBL1317350 0.72 AHR (0.56) AHRGAAPDK2MAPTTDP2
SCHEMBL11089552 0.72 KDM4E (0.46) AHRDDB1CRBNPDK2TDP2

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
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed