SCHEMBL2036052

SCHEMBL2036052

CC1(C)OC(C)(C)C(=O)C(c2cc(-c3cccc(Cl)c3Cl)ccc2C2CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
PTPN11 Q06124 4/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIA1 P42261 1/20 0.36
CACNG8 Q8WXS5 1/20 0.36
PGR P06401 1/20 0.36
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
CYP11B2 P19099 1/20 0.34
DGAT1 O75907 1/20 0.33
CTSD P07339 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL2037804 0.89 F9 (0.36) GRIA1CACNG8PGRBACE1CTSD
SCHEMBL869032 0.84 EDNRB (0.37) CNR2SLC6A3CTSD
SCHEMBL14983792 0.83 DGAT1 (0.36) GRIA1CACNG8PGRDGAT1
SCHEMBL3026367 0.82 PGR (0.39) CNR2GRIA1CACNG8PGR
SCHEMBL867844 0.80 FASN (0.38) BACE1CTSD
SCHEMBL14983793 0.78 SIGMAR1 (0.38) PGR
SCHEMBL14983763 0.76 BACE1 (0.38) PGRAPPBACE1
SCHEMBL12632679 0.73 FASN (0.35) BACE1CTSD
SCHEMBL412386 0.73 ALDH1A1 (0.38)
SCHEMBL418343 0.70 FFAR1 (0.40) SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073616-A2 HERBICIDAL COMPOSITIONS COMPRISING, AND METHODS OF USE OF, HERBICIDALLY ACTIVE PYRANDIONES SYNGENTA LIMITED (GB) 2011-06-23 WO disclosed