SCHEMBL8658608

SCHEMBL8658608

O=C(OCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
CACNA1B Q00975 2/20 0.38
APBA1 Q02410 2/20 0.38
CDC25B P30305 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8407817 0.83 HRH3 (0.45) HRH3DRD3ALDH1A1KDM4ETDP1
SCHEMBL2350339 0.83 TDP1 (0.48) ALDH1A1TDP1KMT2AGAAMAPT
SCHEMBL8408776 0.82 HRH3 (0.50) HRH3DRD3ALDH1A1KDM4EHPGD
SCHEMBL8665082 0.81 TDP1 (0.51) ALDH1A1TDP1CNR2MAPTSMN1; SMN2
SCHEMBL7072913 0.79 CHRNB2 (0.40) HRH3DRD3KDM4ETDP1KMT2A
SCHEMBL7071020 0.79 APP (0.47) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL8654811 0.78 AKR1B1 (0.36) KMT2APOLBMEN1MAPT
SCHEMBL8896252 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDKMT2AGAA
SCHEMBL7245714 0.77 ALDH1A1 (0.44) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL7073015 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDKMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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