SCHEMBL17459385

SCHEMBL17459385

C=COC(=O)N1Cc2ccccc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
HDAC2 Q92769 1/20 0.37
GUSB P08236 1/20 0.35
LTA4H P09960 10/20 0.35
NAMPT P43490 3/20 0.34
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 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
SCHEMBL17468913 0.91 CYP19A1 (0.38) LTA4H
SCHEMBL17469006 0.89 RIPK1 (0.35) TAS1R3TAS1R1TAS1R2HDAC2NAMPT
SCHEMBL17469012 0.86 NAMPT (0.41) NAMPTGSK3B
SCHEMBL17468797 0.86 LTA4H (0.33) LTA4HNAMPTKMT2A
SCHEMBL17469136 0.85 SLC6A2 (0.32) MEN1KMT2A
SCHEMBL17468915 0.85 LTA4H (0.31) GUSBLTA4HGSK3B
SCHEMBL17469009 0.85 ABHD6 (0.34) TAS1R3TAS1R1TAS1R2LTA4H
SCHEMBL17469158 0.84 GABRA1 (0.39) MEN1KMT2A
SCHEMBL17468801 0.84 POLB (0.36) TAS1R3TAS1R1TAS1R2HDAC2MEN1
SCHEMBL17469157 0.84 MAOB (0.38)

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-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed