SCHEMBL8894549

SCHEMBL8894549

O=C(O)c1ccc(OCCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 5/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.44
HTT P42858 4/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RARB P10826 4/20 0.44
PLAU P00749 1/20 0.44
PLA2G4A P47712 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL8897462 0.99 TP53 (0.49) TP53TSHRPLA2G4BALDH1A1L3MBTL1
SCHEMBL8894826 0.98 PLA2G4B (0.46) TP53TSHRPLA2G4BALDH1A1L3MBTL1
SCHEMBL8022439 0.90 PPARA (0.51) ALDH1A1L3MBTL1HTT
SCHEMBL6548648 0.89 L3MBTL1 (0.55) ALDH1A1L3MBTL1HTTPOLBAPEX1
SCHEMBL6549409 0.88 GAA (0.56) TP53TSHRPLA2G4BALDH1A1L3MBTL1
SCHEMBL6547658 0.87 PPARA (0.48) ALDH1A1L3MBTL1HTT
SCHEMBL8021472 0.87 HTT (0.43) TP53TSHRL3MBTL1HTT
SCHEMBL8895257 0.87 KMT2A (0.49) PLA2G4BPOLBPLAUNR4A2
SCHEMBL8895438 0.87 PLA2G4B (0.45) TP53TSHRPLA2G4BALDH1A1L3MBTL1
SCHEMBL6547877 0.87 L3MBTL1 (0.51) ALDH1A1L3MBTL1HTTPOLB

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 1 patent. 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 disclosed