SCHEMBL8409092

SCHEMBL8409092

CC(C)c1cc(O)cc(C(C)C)c1OCCCCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR5A1 Q13285 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
EPHX2 P34913 1/20 0.38
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 2/20 0.38
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2C9 P11712 1/20 0.37
SCN5A Q14524 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 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
SCHEMBL8407960 0.97 ALDH1A1 (0.43) ALDH1A1MRGPRX4L3MBTL1SCN8AFFAR4
SCHEMBL8405465 0.82 NR5A1 (0.41) ALDH1A1L3MBTL1NR5A1LTA4H
SCHEMBL8408371 0.82 NR5A1 (0.41) ALDH1A1L3MBTL1NR5A1GPR84LTA4H
SCHEMBL8407740 0.82 KDM4E (0.44) ALDH1A1MRGPRX4L3MBTL1NR5A1LTA4H
SCHEMBL8408515 0.81 HTT (0.38) ALDH1A1MRGPRX4L3MBTL1SCN8AEPHX2
SCHEMBL8408310 0.80 MRGPRX4 (0.44) MRGPRX4L3MBTL1NR5A1EPHX2FFAR4
SCHEMBL8407394 0.79 KDM4E (0.41) ALDH1A1L3MBTL1NR5A1LTA4H
SCHEMBL8407597 0.79 FFAR4 (0.49) ALDH1A1MRGPRX4L3MBTL1SCN8AEPHX2
SCHEMBL8408546 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1NR5A1GPR84LTA4H
SCHEMBL8405394 0.79 DRD4 (0.40) ALDH1A1L3MBTL1NR5A1LTA4H

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