SCHEMBL8409083

SCHEMBL8409083

Cc1cc(OCC=C(Br)Br)cc(Cl)c1OCCCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MCL1 Q07820 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL8409895 0.96 KDM4E (0.41) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL8555058 0.91 KDM4E (0.40) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL8408748 0.90 KDM4E (0.37) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL8409038 0.90 PLAU (0.33) KDM4EMAPK1SMN1; SMN2MAPTL3MBTL1
SCHEMBL8408785 0.90 KDM4E (0.39) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL8409215 0.90 KDM4E (0.41) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL8408834 0.88 KDM4E (0.41) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL7982351 0.88 KDM4E (0.38) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL8410067 0.88 TP53 (0.37) KDM4EALDH1A1TP53MAPK1POLB
SCHEMBL7981970 0.87 KDM4E (0.40) KDM4EALDH1A1TP53MAPK1POLB

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