SCHEMBL7975967

SCHEMBL7975967

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.47
THRB P10828 7/20 0.47
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
FFAR1 O14842 1/20 0.41
PPARG P37231 1/20 0.41
ALB P02768 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KLK1 P06870 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL7981977 0.96 THRB (0.45) THRATHRBPPARAPPARDFFAR1
SCHEMBL7976017 0.89 THRA (0.47) THRATHRBPPARAPPARDFFAR1
SCHEMBL7975637 0.88 PYGL (0.45) THRATHRBPPARAPPARDFFAR1
SCHEMBL7977616 0.85 KDM4E (0.44) THRATHRBPPARAPPARDFFAR1
SCHEMBL7979215 0.85 THRA (0.45) THRATHRBPPARDFFAR1NR1H4
SCHEMBL8408377 0.84 KLK1 (0.41) THRATHRBKDM4EALDH1A1TDP1
SCHEMBL7976263 0.84 PYGL (0.41) THRATHRBFFAR1PPARGKDM4E
SCHEMBL8408920 0.83 KLK1 (0.43) THRATHRBKDM4EALDH1A1TDP1
SCHEMBL8405765 0.83 KLK1 (0.40) THRATHRBKDM4EALDH1A1TDP1
SCHEMBL7977597 0.83 KDM4E (0.46) THRATHRBPPARAPPARDFFAR1

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