SCHEMBL7975798

SCHEMBL7975798

Cc1cc(OCC=C(Cl)Cl)cc(C)c1OCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
PLAU P00749 3/20 0.34
SCN4A P35499 2/20 0.32
MCL1 Q07820 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
OGG1 O15527 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
SCHEMBL7977636 0.96 HTT (0.37) HTTPLAUSCN4AMCL1FFAR4
SCHEMBL7982131 0.94 HTT (0.36) HTTPLAUTP53MAPK1CYP1A2
SCHEMBL7978918 0.93 PLAU (0.40) HTTPLAUSCN4AMCL1S1PR1
SCHEMBL7977888 0.92 KDM4E (0.36) HTTPLAUMCL1FFAR4TP53
SCHEMBL7975746 0.90 HTT (0.36) HTTPLAUMCL1
SCHEMBL8405848 0.88 HTT (0.39) HTTMCL1FFAR4TP53MAPK1
SCHEMBL7978953 0.88 KDM4E (0.38) HTTPLAUMCL1FFAR4TP53
SCHEMBL7982136 0.87 KDM4E (0.38) HTTPLAUMCL1FFAR4TP53
SCHEMBL8405401 0.87 HTT (0.38) HTTMCL1FFAR4TP53MAPK1
SCHEMBL8405628 0.87 HTT (0.38) HTTMCL1FFAR4TP53MAPK1

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