SCHEMBL8894826

SCHEMBL8894826

O=C(O)c1ccc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
PLAU P00749 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 4/20 0.43
NR4A2 P43354 3/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RARB P10826 3/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL8894549 0.98 TP53 (0.47) PLA2G4BALDH1A1L3MBTL1PKMPLAU
SCHEMBL8897462 0.96 TP53 (0.49) PLA2G4BALDH1A1L3MBTL1PKMPLAU
SCHEMBL6547658 0.90 PPARA (0.48) ALDH1A1L3MBTL1HTTMAPK1
SCHEMBL8895438 0.89 PLA2G4B (0.45) PLA2G4BALDH1A1L3MBTL1PKMPLAU
SCHEMBL6547877 0.89 L3MBTL1 (0.51) ALDH1A1L3MBTL1HTTPOLB
SCHEMBL5690281 0.88 HTT (0.47) PLA2G4BL3MBTL1PLAUTP53TSHR
SCHEMBL6549825 0.87 HTT (0.43) PLA2G4BALDH1A1L3MBTL1HTT
SCHEMBL8022439 0.87 PPARA (0.51) ALDH1A1L3MBTL1HTTMAPK1
SCHEMBL8895257 0.87 KMT2A (0.49) PLA2G4BPLAUNR4A2POLB
SCHEMBL8660004 0.87 MAPT (0.51) ALDH1A1L3MBTL1HTTPOLBTDP1

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
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO claimed
WO-1997027173-A2 DIHALOPROPENE COMPOUNDS, THEIR USE AS INSECTICIDES/ACARICIDES AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-31 WO disclosed