SCHEMBL8408401

SCHEMBL8408401

CCc1cc(OCC=C(Br)Br)cc(CC)c1O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
DHFR P00374 1/20 0.32
MTNR1A P48039 1/20 0.31

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
SCHEMBL8406057 0.91 PTPN1 (0.35) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8405440 0.91 ALDH1A1 (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8405663 0.89 KDM4E (0.35) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8405553 0.89 ALOX5 (0.34) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8339381 0.87 CYP1A2 (0.37) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8339383 0.87 CYP1A2 (0.37) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8407215 0.87 GSR (0.36) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8408126 0.83 HTT (0.45) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8343705 0.80 KDM4E (0.35) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8343704 0.80 KDM4E (0.35) KDM4EALDH1A1GAAMAPTHPGD

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