SCHEMBL7976358

SCHEMBL7976358

O=C(CCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
RHOC P08134 4/20 0.41
RHOA P61586 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL7982378 0.97 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HTTKCNJ5
SCHEMBL7977858 0.89 HTT (0.46) ALDH1A1MAPTSMN1; SMN2HTTMEN1
SCHEMBL8408424 0.84 HTT (0.38) ALDH1A1SMN1; SMN2HTTRHOCRHOA
SCHEMBL8659999 0.83 HTT (0.37) HTTKCNJ5KCNJ3RHOCRHOA
SCHEMBL7965693 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KCNJ5KCNJ3
SCHEMBL8405597 0.82 MAOB (0.39) HTTRHOCRHOA
SCHEMBL8405535 0.82 PPARA (0.39) ALDH1A1HTTRHOCRHOA
SCHEMBL7977739 0.81 RHOC (0.51) ALDH1A1MAPTSMN1; SMN2HTTRHOC
SCHEMBL8060846 0.80 RHOC (0.47) MAPTHTTRHOCRHOAMEN1
SCHEMBL7979385 0.80 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KCNJ5KCNJ3

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 5 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
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US 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