SCHEMBL7977858

SCHEMBL7977858

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR4 Q5NUL3 3/20 0.43
SCN5A Q14524 2/20 0.43
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
FFAR1 O14842 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7976358 0.89 ALDH1A1 (0.44) HTTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL8081473 0.86 HTT (0.46) HTTATMALDH1A1MEN1KMT2A
SCHEMBL7982378 0.86 ALDH1A1 (0.43) HTTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL7977645 0.85 EPHX2 (0.48) HTTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL8657447 0.85 FFAR4 (0.45) HTTFFAR4SCN5ACYP3A4KCNH2
SCHEMBL8628024 0.85 SCN9A (0.41) HTTALDH1A1FFAR4SCN5ACYP3A4
SCHEMBL8656316 0.84 HTT (0.39) HTTATMALDH1A1FFAR4SCN5A
SCHEMBL8627241 0.83 HTT (0.40) HTTATMALDH1A1FFAR4SCN5A
SCHEMBL8406151 0.83 FFAR4 (0.44) HTTATMFFAR4SCN5ACYP3A4
SCHEMBL8519621 0.83 FFAR4 (0.44) HTTATMFFAR4SCN5ACYP3A4

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