SCHEMBL8407345

SCHEMBL8407345

CC(C)c1cc(OCC=C(Cl)Cl)cc(C(C)C)c1OCCCCOc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARD Q03181 3/20 0.34
DRD4 P21917 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LSS P48449 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GLRA1 P23415 1/20 0.33

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
SCHEMBL8405423 0.98 HTT (0.40) HTTKDM4EALDH1A1PPARDDRD4
SCHEMBL8409111 0.89 HTT (0.40) HTTALDH1A1DRD4DRD2DRD3
SCHEMBL8405713 0.88 HTT (0.40) HTTKDM4EALDH1A1PPARDRAB9A
SCHEMBL8405781 0.87 HTT (0.40) HTTALDH1A1DRD4DRD2DRD3
SCHEMBL8405684 0.86 HTT (0.40) HTTKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL8408634 0.85 PPARA (0.38) HTTPPARDPPARGPPARA
SCHEMBL8408515 0.85 HTT (0.38) HTTALDH1A1PPARDPPARAATM
SCHEMBL8405483 0.85 GLRA1 (0.35) HTTGLRA1
SCHEMBL8409223 0.85 HTT (0.36) HTTPPARGGLRA1
SCHEMBL8405945 0.84 HTT (0.35) HTTPPARGGLRA1

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