SCHEMBL8407394

SCHEMBL8407394

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HSP90AB1 P08238 1/20 0.38
ADRB2 P07550 1/20 0.38
LTA4H P09960 2/20 0.38
NR5A1 Q13285 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CHRNA7 P36544 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8407740 0.97 KDM4E (0.44) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL8405394 0.85 DRD4 (0.40) ALDH1A1DRD4DRD2DRD3ADRB2
SCHEMBL8408546 0.85 ALDH1A1 (0.40) KDM4EALDH1A1ADRB2LTA4HNR5A1
SCHEMBL8408371 0.82 NR5A1 (0.41) KDM4EALDH1A1ADRB2LTA4HNR5A1
SCHEMBL8405465 0.82 NR5A1 (0.41) ALDH1A1DRD4DRD2DRD3ADRB2
SCHEMBL8407960 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1
SCHEMBL8405423 0.79 HTT (0.40) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL8409092 0.79 ALDH1A1 (0.43) ALDH1A1LTA4HNR5A1L3MBTL1
SCHEMBL8408497 0.78 GPR84 (0.43) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL8407810 0.77 DRD4 (0.46) KDM4EALDH1A1DRD4DRD2DRD3

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