SCHEMBL8408745

SCHEMBL8408745

Cc1cc(OCC=C(Cl)Cl)cc(Cl)c1OCCCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 1/20 0.37
POLB P06746 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
PDK2 Q15119 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL8410067 0.96 TP53 (0.37) TP53MAPK1KDM4EGAAPOLB
SCHEMBL8407738 0.92 TP53 (0.40) TP53MAPK1KDM4EGAAPOLB
SCHEMBL8405459 0.91 KDM4E (0.40) TP53MAPK1KDM4EGAAPOLB
SCHEMBL3237838 0.90 HTT (0.35) TP53MAPK1GAACYP1A2CYP2D6
SCHEMBL8405610 0.89 KDM4E (0.38) TP53MAPK1KDM4EGAAPOLB
SCHEMBL7979231 0.89 PDK2 (0.37) TP53MAPK1GAAHTTPDK2
SCHEMBL8409895 0.88 KDM4E (0.41) TP53MAPK1KDM4EGAAPOLB
SCHEMBL8407281 0.88 KDM4E (0.38) TP53MAPK1KDM4EGAAPOLB
SCHEMBL7978953 0.88 KDM4E (0.38) TP53MAPK1KDM4EGAAPOLB
SCHEMBL8405401 0.88 HTT (0.38) TP53MAPK1KDM4EGAAPOLB

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