SCHEMBL8409100

SCHEMBL8409100

Oc1cc(Cl)c(OCCCCOc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.45
NR5A1 Q13285 1/20 0.43
HRH3 Q9Y5N1 6/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 4/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KCNH2 Q12809 1/20 0.42
KCNA3 P22001 1/20 0.42
KCNA5 P22460 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 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
SCHEMBL8656340 0.97 DRD4 (0.42) ALDH3A1HRH3ALDH1A1DRD4DRD2
SCHEMBL8405520 0.95 MAOB (0.45) ALDH3A1DRD4DRD2DRD3KCNH2
SCHEMBL8408633 0.89 KDM4E (0.45) ALDH3A1NR5A1HRH3ALDH1A1DRD4
SCHEMBL8409213 0.87 DRD4 (0.46) NR5A1ALDH1A1DRD4DRD2DRD3
SCHEMBL8405627 0.86 DRD2 (0.43) NR5A1HRH3ALDH1A1DRD4DRD2
SCHEMBL8405442 0.84 NR5A1 (0.63) NR5A1LTA4H
SCHEMBL8405532 0.83 IGF1R (0.51) MEN1KMT2A
SCHEMBL8407810 0.83 DRD4 (0.46) NR5A1ALDH1A1DRD4DRD2DRD3
SCHEMBL8408457 0.83 LTA4H (0.47) NR5A1ALDH1A1LTA4H
SCHEMBL8405716 0.83 POLB (0.48) DRD4DRD2DRD3KCNH2KCNA3

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 8 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 claimed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP claimed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP claimed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO claimed
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