SCHEMBL8405663

SCHEMBL8405663

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 1/20 0.31
ESR1 P03372 1/20 0.31
ERN1 O75460 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAOB P27338 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
SCHEMBL8408401 0.89 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL8407828 0.87 HTT (0.41) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL7977624 0.86 HSD17B10 (0.37) ALDH1A1MAPTHPGDTHRBESR1
SCHEMBL8405440 0.84 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL8406057 0.84 PTPN1 (0.35) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL8405553 0.82 ALOX5 (0.34) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL7981782 0.82 MCL1 (0.33) HPGDL3MBTL1CYP1A2CYP2C19KMT2A
SCHEMBL7979310 0.80 ERN1 (0.34) ERN1
SCHEMBL8407215 0.80 GSR (0.36) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL8405406 0.80 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDGAA

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