SCHEMBL7979231

SCHEMBL7979231

OCCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
HTT P42858 1/20 0.35
TP53 P04637 3/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.32
PLAU P00749 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3237838 0.98 HTT (0.35) PDK2HTTTP53MAPK1GAA
SCHEMBL2345060 0.94 HTT (0.36) PDK2HTTTP53MAPK1PLAU
SCHEMBL8408754 0.92 HTT (0.39) HTTMAPK1PLAUS1PR2S1PR1
SCHEMBL2444928 0.89 HTT (0.37) HTTPLAUSMN1; SMN2
SCHEMBL8408794 0.89 HTT (0.39) HTTMAPK1PLAU
SCHEMBL8407264 0.89 KMT2A (0.39) PDK2HTTTHRBSMN1; SMN2
SCHEMBL8408745 0.89 TP53 (0.39) PDK2HTTTP53MAPK1GAA
SCHEMBL8408703 0.89 PDK2 (0.34) PDK2HTT
SCHEMBL7635749 0.88 HTT (0.35) HTTPLAUS1PR2S1PR1S1PR3
SCHEMBL7631827 0.88 HTT (0.35) HTTPLAUS1PR2S1PR1S1PR3

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 6 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
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