SCHEMBL8407828

SCHEMBL8407828

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.31
ERN1 O75460 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOB P27338 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL8408126 0.91 HTT (0.45) HTTALDH1A1KDM4EMAPTHPGD
SCHEMBL8405663 0.87 KDM4E (0.35) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL2166615 0.85 HTT (0.41) HTTALDH1A1MAPTHPGDESR1
SCHEMBL4619534 0.85 HTT (0.37) HTT
SCHEMBL8408830 0.85 HTT (0.41) HTTALDH1A1KDM4EMAPTHPGD
SCHEMBL8408462 0.84 HTT (0.40) HTTALDH1A1KDM4EMAPTHPGD
SCHEMBL8405655 0.84 HTT (0.40) HTTALDH1A1KDM4EMAPTHPGD
SCHEMBL7075218 0.81 HTT (0.40) HTTHPGDL3MBTL1CYP1A2CYP2C19
SCHEMBL8407288 0.81 HTT (0.39) HTTALDH1A1KDM4EMAPTHPGD
SCHEMBL4121856 0.79 HTT (0.46) HTTHPGDMEN1CYP1A2CYP2C19

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