SCHEMBL8408946

SCHEMBL8408946

CCc1cc(OCC=C(Br)Br)cc(Cl)c1OCCCCBr

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 3/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 1/20 0.33
P4HB P07237 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRA P10827 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL8409005 0.96 KDM4E (0.33) L3MBTL1THRBKDM4EALDH1A1
SCHEMBL8408801 0.91 L3MBTL1 (0.35) L3MBTL1THRBKDM4EALDH1A1P4HB
SCHEMBL8658760 0.91 PLA2G2A (0.33) L3MBTL1THRBKDM4EALDH1A1THRA
SCHEMBL8407349 0.90 HTT (0.35) L3MBTL1THRBKDM4EALDH1A1P4HB
SCHEMBL8408474 0.90 L3MBTL1 (0.34) L3MBTL1THRBKDM4EALDH1A1P4HB
SCHEMBL8405406 0.90 KDM4E (0.34) L3MBTL1THRBKDM4EALDH1A1
SCHEMBL8408467 0.88 PLAU (0.35) THRBKDM4EPLAU
SCHEMBL8408468 0.87 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL8408691 0.86 HTT (0.36) L3MBTL1THRBKDM4EALDH1A1MEN1
SCHEMBL8408834 0.85 KDM4E (0.41) L3MBTL1THRBKDM4EALDH1A1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872137-A AROMATIC OXY DIHALOPRENE COMPOUNDS INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-16 US disclosed
EP-0722430-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 1998-10-21 EP disclosed
EP-0722430-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-07-24 EP disclosed
WO-1996004228-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-02-15 WO disclosed