SCHEMBL8407708

SCHEMBL8407708

Oc1cc(Cl)c(OCCCOc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.50
FFAR1 O14842 4/20 0.50
SCN5A Q14524 2/20 0.50
CYP2C9 P11712 1/20 0.50
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
AURKA O14965 1/20 0.46
TPX2 Q9ULW0 1/20 0.46
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PTGER4 P35408 1/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 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
SCHEMBL8405614 0.96 FFAR4 (0.47) FFAR4FFAR1SCN5ACYP2C9AKR1C2
SCHEMBL8405415 0.93 FFAR4 (0.47) FFAR4FFAR1SCN5ACYP2C9AKR1C2
SCHEMBL8405579 0.87 FFAR4 (0.49) FFAR4FFAR1SCN5ACYP2C9CYP3A4
SCHEMBL8408886 0.86 FFAR4 (0.38) FFAR4FFAR1SCN5ACYP2C9CYP3A4
SCHEMBL8407749 0.84 FFAR4 (0.49) FFAR4FFAR1SCN5ACYP2C9CYP3A4
SCHEMBL8407901 0.84 FFAR4 (0.37) FFAR4FFAR1SCN5ACYP2C9CYP3A4
SCHEMBL8408972 0.84 GPR84 (0.48) FFAR4FFAR1SCN5ACYP2C9AKR1C2
SCHEMBL8405681 0.84 FFAR4 (0.37) FFAR4FFAR1SCN5ACYP2C9CYP3A4
SCHEMBL8408669 0.84 FFAR4 (0.42) FFAR4FFAR1SCN5ACYP2C9CYP3A4
SCHEMBL8409439 0.83 GPR84 (0.47) FFAR4FFAR1SCN5ACYP2C9AKR1C2

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