SCHEMBL8405396

SCHEMBL8405396

Oc1cc(Cl)c(OCCCCBr)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.42
KLK1 P06870 1/20 0.40
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL8406353 0.94 PLAU (0.40) PLAUKLK1HPGDCYP3A4CRHBP
SCHEMBL8408395 0.88 HPGD (0.41) PLAUHPGDCYP3A4CRHBPCRHR2
SCHEMBL11239759 0.88 HPGD (0.44) PLAUKLK1HPGDCYP3A4CRHBP
SCHEMBL4038561 0.82 PLAU (0.40) PLAUKLK1HPGDCYP3A4CRHBP
SCHEMBL11567024 0.82 MAPT (0.41) PLAUKLK1HPGDMAPTMAPK1
SCHEMBL4054790 0.80 HPGD (0.41) PLAUHPGDCYP3A4CRHBPCRHR2
SCHEMBL8408841 0.80 MAPT (0.42) PLAUHPGDCYP3A4CRHBPCRHR2
SCHEMBL8407668 0.79 S1PR2 (0.50) CYP3A4S1PR2S1PR1S1PR3LPAR2
SCHEMBL6748217 0.79 MAPT (0.51) KLK1HPGDCYP3A4MAPTMAPK1
SCHEMBL8405926 0.78 PLAU (0.40) PLAUHPGDCYP3A4CRHBPCRHR2

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