SCHEMBL8407472

SCHEMBL8407472

CCc1cc(OCC=C(Br)Br)cc(C)c1OCCCO

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 2/20 0.30
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30
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
SCHEMBL8405671 0.96 KDM4E (0.34) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL8408751 0.92 KDM4E (0.32) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL8408370 0.90 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL8407658 0.90 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL8408748 0.89 KDM4E (0.37) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL8409064 0.89 KDM4E (0.34) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL7981988 0.89 KDM4E (0.32) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL8408724 0.88 KDM4E (0.32) KDM4EALDH1A1THRATHRBGAA
SCHEMBL8063193 0.88 KDM4E (0.34) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL8409335 0.87 HTT (0.36) KDM4EALDH1A1CYP1A2CYP2D6TP53

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 2 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