SCHEMBL8405448

SCHEMBL8405448

ClCCCCOc1c(Br)cc(OCC=C(Cl)Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.41
THRA P10827 5/20 0.36
THRB P10828 5/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8405833 0.95 KLK1 (0.38) KLK1THRATHRBHTTMEN1
SCHEMBL8405589 0.93 KMT2A (0.40) KLK1THRATHRBHTTMEN1
SCHEMBL8405537 0.89 KLK1 (0.40) KLK1THRATHRBHTTMEN1
SCHEMBL8405466 0.88 KDM4E (0.40) KLK1THRATHRBHTTMEN1
SCHEMBL7975940 0.88 KLK1 (0.42) KLK1THRATHRBHTTMEN1
SCHEMBL8408377 0.88 KLK1 (0.41) KLK1THRATHRBHTTMEN1
SCHEMBL8408402 0.88 KLK1 (0.37) KLK1THRATHRBHTTMEN1
SCHEMBL8405839 0.88 KLK1 (0.37) KLK1THRATHRBHTTMEN1
SCHEMBL7979431 0.87 KLK1 (0.44) KLK1THRATHRBHTTMEN1
SCHEMBL7981989 0.86 KLK1 (0.40) KLK1THRATHRBHTTMEN1

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