SCHEMBL7976263

SCHEMBL7976263

O=C(O)CCCOc1c(Cl)cc(OCC=C(Br)Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.41
FFAR4 Q5NUL3 6/20 0.38
SCN5A Q14524 2/20 0.38
PDK2 Q15119 2/20 0.38
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
PLAU P00749 1/20 0.38
MCL1 Q07820 1/20 0.38
FFAR1 O14842 3/20 0.38
RAB9A P51151 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.34

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
SCHEMBL7975637 0.96 PYGL (0.45) PYGLFFAR4SCN5APDK2CYP3A4
SCHEMBL7979198 0.91 MCL1 (0.46) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL7977597 0.88 KDM4E (0.46) PYGLFFAR4SCN5APDK2CYP3A4
SCHEMBL7981977 0.88 THRB (0.45) FFAR4PDK2FFAR1KDM4ETHRA
SCHEMBL7975719 0.88 FFAR4 (0.41) PYGLFFAR4SCN5APDK2CYP3A4
SCHEMBL8407424 0.84 PLAU (0.33) PYGLPLAUKDM4E
SCHEMBL7965637 0.84 PYGL (0.43) PYGLFFAR4SCN5APDK2CYP3A4
SCHEMBL7979029 0.84 MCL1 (0.44) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL7975967 0.84 THRA (0.47) PDK2FFAR1KDM4ETHRATHRB
SCHEMBL8409038 0.83 PLAU (0.33) PDK2PLAUKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP claimed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US claimed
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 claimed
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 claimed
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