SCHEMBL7965803

SCHEMBL7965803

CC(=O)N(CCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 1/20 0.34
LTC4S Q16873 3/20 0.33
MAOB P27338 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK2 Q15119 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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 0.90 HTT (0.35) RXRAKDM4EHDAC6HTTMAOB
SCHEMBL7965728 0.83 HTT (0.39) KDM4EHTTMAOB
SCHEMBL8657953 0.79 MAOB (0.44) ALDH1A1KDM4EHTTMAOBKMT2A
SCHEMBL8659246 0.79 MAOB (0.44) ALDH1A1KDM4EHTTMAOBKMT2A
SCHEMBL7965820 0.78 CYP11B1 (0.33) KDM4EHTTTHRBPDK2NR1H2
SCHEMBL8658361 0.78 SCN8A (0.39) MAOBTHRATHRB
SCHEMBL8658520 0.77 HDAC1 (0.40) MAOBTHRATHRB
SCHEMBL7965823 0.77 BCHE (0.46) KDM4EHDAC6MEN1KMT2APDK2
SCHEMBL8408308 0.76 TAAR1 (0.40) MAOBTHRATHRB
SCHEMBL7979491 0.75 CYP11B1 (0.32) KDM4EHTTTHRBPDK2NR1H2

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