SCHEMBL8655716

SCHEMBL8655716

CCc1cc(OCC=C(Cl)Cl)cc(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 0.36
ALDH1A1 P00352 2/20 0.36
PPARD Q03181 6/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
LSS P48449 2/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
MAPT P10636 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
SCHEMBL8658065 0.98 HTT (0.40) HTTKDM4EALDH1A1PPARDDRD2
SCHEMBL8405391 0.93 HTT (0.43) HTTKDM4EALDH1A1PPARDDRD2
SCHEMBL8658513 0.90 HTT (0.41) HTTKDM4EALDH1A1PPARDDRD2
SCHEMBL8661408 0.88 HTT (0.41) HTTKDM4EALDH1A1PPARDDRD2
SCHEMBL8659250 0.87 HTT (0.39) HTTKDM4EALDH1A1PPARDL3MBTL1
SCHEMBL8409203 0.86 HTT (0.39) HTTKDM4EALDH1A1PPARDDRD2
SCHEMBL8409074 0.86 HTT (0.35) HTTKDM4EALDH1A1MEN1CYP1A2
SCHEMBL8659885 0.86 FFAR4 (0.42) HTTPPARDPPARAHRH2HRH1
SCHEMBL8658732 0.86 PPARD (0.41) HTTPPARDPPARGPPARA
SCHEMBL8405371 0.86 HTT (0.36) HTTKDM4EALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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