SCHEMBL8407658

SCHEMBL8407658

CCc1cc(OCC=C(Br)Br)cc(C)c1OCCCCl

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
MCL1 Q07820 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL8409064 0.96 KDM4E (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8409032 0.92 KDM4E (0.32) KDM4EALDH1A1THRATHRBGAA
SCHEMBL8408370 0.90 KDM4E (0.33) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8407472 0.90 KDM4E (0.33) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8409409 0.89 KDM4E (0.37) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL7981988 0.89 KDM4E (0.32) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8405671 0.89 KDM4E (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL8406003 0.88 HTT (0.37) KDM4EALDH1A1MCL1GAAMAPT
SCHEMBL8408787 0.88 THRA (0.33) KDM4EALDH1A1THRATHRBGAA
SCHEMBL8063193 0.88 KDM4E (0.34) KDM4EALDH1A1MEN1CYP1A2CYP2D6

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