SCHEMBL7965728

SCHEMBL7965728

CC(=O)N(CCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CYP3A4 P08684 5/20 0.34
PTGIR P43119 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
BCL2A1 Q16548 3/20 0.33
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8408473 0.89 HTT (0.35) HTTKDM4EMAOB
SCHEMBL7965803 0.83 LTB4R2 (0.36) HTTKDM4EMAOB
SCHEMBL8405697 0.78 HTT (0.42) HTT
SCHEMBL8408726 0.78 HTT (0.42) HTTMAOB
SCHEMBL8896693 0.78 HTT (0.38) HTTKDM4E
SCHEMBL8407941 0.76 HTT (0.43) HTTKDM4ECYP3A4MAOBCYP1A2
SCHEMBL8408794 0.76 HTT (0.39) HTTKDM4E
SCHEMBL8408754 0.76 HTT (0.39) HTTKDM4ECYP3A4CYP1A2CYP2C19
SCHEMBL3234393 0.76 HTT (0.43) HTTKDM4ECYP3A4CYP1A2CYP2C19
SCHEMBL3138620 0.76 HTT (0.43) HTTKDM4ECYP3A4CYP1A2CYP2C19

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