SCHEMBL8407597

SCHEMBL8407597

Cc1cc(O)cc(C)c1OCCCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN5A Q14524 2/20 0.48
CYP3A4 P08684 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1C Q13936 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PTGER4 P35408 1/20 0.41
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40
FFAR1 O14842 2/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8405579 0.91 FFAR4 (0.49) FFAR4SCN8ASCN5ACYP3A4KCNH2
SCHEMBL8408518 0.90 FFAR4 (0.44) FFAR4SCN8ASCN5ACYP3A4KCNH2
SCHEMBL8407749 0.88 FFAR4 (0.49) FFAR4SCN8ASCN5ACYP3A4KCNH2
SCHEMBL8405502 0.87 FFAR4 (0.44) FFAR4SCN8ASCN5ACYP3A4KCNH2
SCHEMBL8405948 0.83 MRGPRX4 (0.42) FFAR4SCN5AL3MBTL1MRGPRX4PPARD
SCHEMBL8405614 0.82 FFAR4 (0.47) FFAR4SCN5ACYP3A4KCNH2CACNA1C
SCHEMBL8407960 0.82 ALDH1A1 (0.43) FFAR4SCN8ASCN5AL3MBTL1MRGPRX4
SCHEMBL8407489 0.80 DRD4 (0.46) KCNH2L3MBTL1PPARDALDH1A1GPR84
SCHEMBL8408310 0.80 MRGPRX4 (0.44) FFAR4SCN5AL3MBTL1MRGPRX4HRH2
SCHEMBL8405415 0.79 FFAR4 (0.47) FFAR4SCN5ACYP3A4KCNH2CACNA1C

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 2 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