SCHEMBL8405765

SCHEMBL8405765

OCCCCOc1c(Br)cc(OCC=C(Br)Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.40
THRA P10827 4/20 0.35
THRB P10828 4/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8407580 0.95 KLK1 (0.37) KLK1THRATHRBHRH3KDM4E
SCHEMBL8408377 0.89 KLK1 (0.41) KLK1THRATHRBHRH3KDM4E
SCHEMBL8409045 0.89 KDM4E (0.39) KLK1THRATHRBHRH3KDM4E
SCHEMBL8408920 0.88 KLK1 (0.43) KLK1THRATHRBHRH3KDM4E
SCHEMBL8405537 0.88 KLK1 (0.40) KLK1THRATHRBHRH3KDM4E
SCHEMBL8408791 0.88 KLK1 (0.38) KLK1THRATHRBHRH3KDM4E
SCHEMBL7979018 0.87 KLK1 (0.42) KLK1THRATHRBHRH3KDM4E
SCHEMBL8405772 0.87 PDK2 (0.34) THRBKDM4E
SCHEMBL8409137 0.86 KLK1 (0.37) KLK1THRATHRBHRH3KDM4E
SCHEMBL7975928 0.85 KLK1 (0.44) KLK1THRATHRBHRH3KDM4E

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