SCHEMBL8657447

SCHEMBL8657447

O=C(CCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.45
SCN5A Q14524 2/20 0.45
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
FFAR1 O14842 5/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 2/20 0.34
PDK2 Q15119 2/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8519621 0.86 FFAR4 (0.44) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8406151 0.86 FFAR4 (0.44) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL7977858 0.85 HTT (0.46) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8407443 0.83 FFAR4 (0.47) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8657400 0.83 FFAR4 (0.39) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8519267 0.82 FFAR4 (0.38) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8661564 0.81 RORC (0.39) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8628024 0.81 SCN9A (0.41) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8658134 0.81 FFAR4 (0.37) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8065652 0.81 TRPV1 (0.51) PPARDTRPV1

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