SCHEMBL8408751

SCHEMBL8408751

CCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 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
SCHEMBL8408724 0.96 KDM4E (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8407472 0.92 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8409032 0.89 KDM4E (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8408468 0.89 KDM4E (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8405671 0.88 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL8658760 0.87 PLA2G2A (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8408787 0.87 THRA (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8408474 0.87 L3MBTL1 (0.34) KDM4EALDH1A1
SCHEMBL8408496 0.86 HTT (0.40) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8408748 0.82 KDM4E (0.37) KDM4EALDH1A1GAA

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