SCHEMBL7981977

SCHEMBL7981977

O=C(O)CCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.45
THRA P10827 8/20 0.45
NR1H4 Q96RI1 1/20 0.40
PDK2 Q15119 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTPN1 P18031 1/20 0.37
PPARD Q03181 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL7975967 0.96 THRA (0.47) THRBTHRANR1H4PDK2FFAR1
SCHEMBL7979215 0.89 THRA (0.45) THRBTHRANR1H4PDK2FFAR1
SCHEMBL7976263 0.88 PYGL (0.41) THRBTHRAPDK2FFAR1FFAR4
SCHEMBL7976017 0.85 THRA (0.47) THRBTHRANR1H4FFAR1FFAR4
SCHEMBL7979029 0.85 MCL1 (0.44) THRBTHRAFFAR1FFAR4PPARD
SCHEMBL8408791 0.84 KLK1 (0.38) THRBTHRAKDM4E
SCHEMBL7975637 0.84 PYGL (0.45) THRBTHRAPDK2FFAR1FFAR4
SCHEMBL8407580 0.82 KLK1 (0.37) THRBTHRAKDM4E
SCHEMBL8408377 0.82 KLK1 (0.41) THRBTHRAKDM4E
SCHEMBL8409137 0.82 KLK1 (0.37) THRBTHRAKDM4E

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