SCHEMBL8408253

SCHEMBL8408253

O=C(OCCCOc1c(Cl)cc(O)cc1Cl)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 3/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL8658023 0.85 TDP1 (0.58) TDP1KMT2AALDH1A1ESR1SMN1; SMN2
SCHEMBL4570310 0.84 HRH3 (0.66) HRH3DRD3KDM4ECES2CES1
SCHEMBL8407817 0.83 HRH3 (0.45) HRH3DRD3KDM4ECES2CES1
SCHEMBL8657702 0.83 TDP1 (0.63) TDP1KMT2AALDH1A1ESR1SMN1; SMN2
SCHEMBL8408776 0.79 HRH3 (0.50) HRH3DRD3KDM4EHSP90AA1MAPT
SCHEMBL8409296 0.79 LMNA (0.53) NPC1RAB9AMAPTTDP1MEN1
SCHEMBL11069051 0.78 HRH3 (0.52) HRH3DRD3KDM4ENPC1RAB9A
SCHEMBL7073022 0.78 L3MBTL1 (0.51) KDM4ENPC1RAB9AMAPTTDP1
SCHEMBL27691343 0.78 HRH3 (0.64) HRH3DRD3KDM4ECES2CES1
SCHEMBL8409166 0.78 ESR1 (0.43) TDP1MEN1KMT2AALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed