SCHEMBL8405394

SCHEMBL8405394

CC(C)c1cc(O)cc(C(C)C)c1OCCCOc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 2/20 0.39
ADRB2 P07550 1/20 0.38
KCNA3 P22001 1/20 0.38
LTA4H P09960 1/20 0.38
NR5A1 Q13285 1/20 0.38
GLRA1 P23415 1/20 0.38
DHFR P00374 2/20 0.38
ALDH3A1 P30838 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8405465 0.97 NR5A1 (0.41) DRD4DRD2DRD3SIGMAR1MEN1
SCHEMBL8408546 0.85 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AL3MBTL1ADRB2
SCHEMBL8407394 0.85 KDM4E (0.41) DRD4DRD2DRD3ALDH1A1L3MBTL1
SCHEMBL8407740 0.82 KDM4E (0.44) DRD4DRD2DRD3ALDH1A1TDP1
SCHEMBL8408371 0.82 NR5A1 (0.41) ALDH1A1KMT2AL3MBTL1ADRB2LTA4H
SCHEMBL8407960 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL8405781 0.80 HTT (0.40) DRD4DRD2DRD3SIGMAR1MEN1
SCHEMBL8407489 0.80 DRD4 (0.46) DRD4DRD2DRD3MEN1ALDH1A1
SCHEMBL8656340 0.80 DRD4 (0.42) DRD4DRD2DRD3MEN1ALDH1A1
SCHEMBL8409092 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1LTA4HNR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128777-C Dihalopropene compounds, insecticidal/acaricidal agents containing same, and intermediates for their production SUMITOMO CHEMICAL CO (JP) 2003-11-26 CN disclosed
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
CN-1137265-A Dihalopropene compounds, insecticides/acaricides containing the same and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1996-12-04 CN 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