SCHEMBL7979492

SCHEMBL7979492

CN(CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
HDAC6 Q9UBN7 7/20 0.38
PDK1 Q15118 2/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
PPARD Q03181 1/20 0.35
MCHR1 Q99705 1/20 0.35
GRM4 Q14833 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MLYCD O95822 1/20 0.34

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
SCHEMBL7965823 0.97 BCHE (0.46) BCHEACHEMEN1KMT2ACYP11B1
SCHEMBL7977841 0.88 CYP11B1 (0.36) BCHEACHECYP11B1CYP11B2PPARD
SCHEMBL7979491 0.84 CYP11B1 (0.32) CYP11B1CYP11B2PDK2KDM4E
SCHEMBL8060846 0.82 RHOC (0.47) MEN1KMT2APPARD
SCHEMBL8405597 0.81 MAOB (0.39) PPARDGRM4
SCHEMBL7965820 0.81 CYP11B1 (0.33) BCHEACHECYP11B1CYP11B2PDK2
SCHEMBL7977739 0.81 RHOC (0.51) MEN1KMT2APPARD
SCHEMBL7977839 0.80 APP (0.33)
SCHEMBL8408473 0.80 HTT (0.35) CYP11B1CYP11B2HDAC6PDK1PDK2
SCHEMBL8405535 0.79 PPARA (0.39) PPARDGRM4

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-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed