SCHEMBL8405502

SCHEMBL8405502

CCc1cc(O)cc(C)c1OCCCCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
EPHX2 P34913 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
PTGER4 P35408 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR5A1 Q13285 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARD Q03181 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL8408518 0.97 FFAR4 (0.44) FFAR4MRGPRX4CYP3A4KCNH2CACNA1C
SCHEMBL8408310 0.92 MRGPRX4 (0.44) FFAR4MRGPRX4SCN5AEPHX2HRH2
SCHEMBL8405948 0.90 MRGPRX4 (0.42) FFAR4MRGPRX4SCN5AHRH2HRH1
SCHEMBL8405776 0.88 MRGPRX4 (0.43) MRGPRX4NR5A1PPARD
SCHEMBL8407597 0.87 FFAR4 (0.49) FFAR4MRGPRX4CYP3A4KCNH2CACNA1C
SCHEMBL8406355 0.85 PPARD (0.43) MRGPRX4PPARD
SCHEMBL7977604 0.85 EPHX2 (0.50) EPHX2PPARDHDAC3HDAC1HDAC2
SCHEMBL7981831 0.84 HDAC3 (0.49) EPHX2L3MBTL1PPARDHDAC3HDAC1
SCHEMBL8407749 0.84 FFAR4 (0.49) FFAR4MRGPRX4CYP3A4KCNH2CACNA1C
SCHEMBL8408393 0.83 NR5A1 (0.42) MRGPRX4HRH2HRH1L3MBTL1NR5A1

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
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-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