SCHEMBL28830146

SCHEMBL28830146

CCCCCC(Oc1ccccc1)C(=O)OC(=N)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.44
PPARG P37231 5/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARA Q07869 5/20 0.39
CNR2 P34972 1/20 0.39
PRSS1 P07477 2/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSG P08311 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
SCHEMBL11617518 0.86 CTRC (0.52) CTRCPPARGPTGESALOX5PPARA
SCHEMBL11577652 0.86 CTRC (0.52) CTRCPPARGPTGESALOX5PPARA
SCHEMBL8722173 0.83 PPARG (0.51) CTRCPPARGPTGESALOX5PPARA
SCHEMBL11577658 0.83 CTRC (0.47) CTRCPPARGPTGESALOX5PPARA
SCHEMBL11617523 0.83 CTRC (0.47) CTRCPPARGPTGESALOX5PPARA
SCHEMBL28169746 0.80 CTRC (0.48) CTRCPPARGPTGESALOX5PPARA
SCHEMBL28332594 0.80 CTRC (0.51) CTRCPPARGPTGESALOX5PPARA
SCHEMBL557511 0.79 CTRC (0.62) CTRCPPARGPTGESALOX5PPARA
SCHEMBL15902941 0.79 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA
SCHEMBL28508756 0.79 CTRC (0.50) CTRCPPARGPTGESALOX5PPARA

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
CN-105831142-B Herbicidal combinations comprising pyridine ethyl methyl and proporphyrinogen oxidase inhibitor 石原产业株式会社 2018-12-21 CN disclosed
CN-105831142-A Herbicidal composition comprising flazasulfuron and an inhibitor of protoporphyrinogen oxidase 石原产业株式会社 2016-08-10 CN disclosed