SCHEMBL21300527

SCHEMBL21300527

CCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC(C)C(=O)OC)c1.CCc1ccc(COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc2)c(OC(C)C(=O)OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.33
HTR2A P28223 2/20 0.32
S1PR1 P21453 1/20 0.32
HPGD P15428 1/20 0.31
NR3C1 P04150 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
FFAR1 O14842 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
RXRA P19793 2/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL39056 1.00 POLB (0.37) POLBSMN1; SMN2PPARGHTR2AS1PR1
SCHEMBL5467634 0.94 L3MBTL1 (0.39) POLBSMN1; SMN2PPARGHTR2AS1PR1
SCHEMBL4829867 0.92 PPARG (0.40) PPARGMMEACECPA1ACE2
SCHEMBL4829878 0.92 PPARG (0.40) PPARGMMEACECPA1ACE2
Clopyralid SCHEMBL7580470 0.90 PPARG (0.35) POLBSMN1; SMN2PPARGL3MBTL1
Bromoxynil SCHEMBL7585447 0.90 POLB (0.31) POLBSMN1; SMN2
SCHEMBL7836459 0.90 SMN1; SMN2 (0.36) POLBSMN1; SMN2S1PR1HPGDLMNA
Diclofop-Methyl SCHEMBL7587664 0.90 FFAR1 (0.34) POLBSMN1; SMN2PPARGHTR2AHPGD
SCHEMBL4572155 0.89 FFAR1 (0.32) PPARGHTR2AS1PR1HPGDNR3C1
Difenzoquat SCHEMBL7584224 0.88 KDM4E (0.31)

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
WO-2020008810-A1 METHOD FOR CONTROLLING WEEDS 住友化学株式会社 2020-01-09 WO disclosed
WO-2019163617-A1 METHOD FOR CONTROLLING HERBICIDE RESISTANT WEEDS IN AGRICULTURAL CROP 住友化学株式会社 2019-08-29 WO disclosed