SCHEMBL8405545

SCHEMBL8405545

Oc1cc(Cl)c(OCCc2ccc(C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PTGS1 P23219 1/20 0.41
IDO1 P14902 2/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
FFAR1 O14842 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SIRT2 Q8IXJ6 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
SCHEMBL8409230 0.93 MAOB (0.40) MAOBTAAR1PTGS1IDO1PPARD
SCHEMBL8405629 0.86 MAOB (0.47) MAOBPTGS1IDO1PPARDMRGPRX4
SCHEMBL8408538 0.85 TAAR1 (0.48) MAOBTAAR1IDO1FFAR1MRGPRX4
SCHEMBL8405357 0.84 SLC5A1 (0.43) MAOBTAAR1PTGS1PPARA
SCHEMBL8408796 0.83 GPR84 (0.49) FFAR1MRGPRX4
SCHEMBL8408534 0.83 IGF1R (0.42) MAOBTAAR1
SCHEMBL8405359 0.82 PPARA (0.43) MAOBPTGS1PPARDPPARAMRGPRX4
SCHEMBL8405863 0.82 NOS1 (0.43) MAOBPTGS1PPARDPPARAMRGPRX4
SCHEMBL8407758 0.80 MAPT (0.42) MAOBPPARDPPARA
SCHEMBL8409247 0.80 MAOB (0.40) MAOBTAAR1PPARDPPARAFFAR1

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