SCHEMBL7976017

SCHEMBL7976017

O=C(O)CCCCOc1c(Br)cc(OCC=C(Cl)Cl)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.47
THRB P10828 7/20 0.47
PPARA Q07869 3/20 0.41
PPARD Q03181 3/20 0.41
FFAR1 O14842 2/20 0.41
PPARG P37231 1/20 0.41
ALB P02768 1/20 0.39
HTT P42858 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7979215 0.96 THRA (0.45) THRATHRBPPARDFFAR1HTT
SCHEMBL7975967 0.89 THRA (0.47) THRATHRBPPARAPPARDFFAR1
SCHEMBL7965637 0.86 PYGL (0.43) THRATHRBPPARAPPARDFFAR1
SCHEMBL7977851 0.85 MCL1 (0.47) THRATHRBPPARAPPARDFFAR1
SCHEMBL7981977 0.85 THRB (0.45) THRATHRBPPARAPPARDFFAR1
SCHEMBL8405448 0.84 KLK1 (0.41) THRATHRBHTTKDM4EALDH1A1
SCHEMBL8405537 0.83 KLK1 (0.40) THRATHRBHTTKDM4EALDH1A1
SCHEMBL8405833 0.83 KLK1 (0.38) THRATHRBHTTKDM4EALDH1A1
SCHEMBL7975719 0.82 FFAR4 (0.41) FFAR1HTTFFAR4CYP3A4
SCHEMBL7975940 0.82 KLK1 (0.42) THRATHRBHTTKDM4EALDH1A1

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