SCHEMBL17469008

SCHEMBL17469008

C=COC(=O)N1Cc2cc(Cl)ccc2OC(c2cccc(Cl)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
HDAC2 Q92769 1/20 0.36
FFAR1 O14842 2/20 0.36
HTR6 P50406 1/20 0.36
AR P10275 1/20 0.34
HSD11B1 P28845 1/20 0.34
GSK3B P49841 1/20 0.34
RIPK1 Q13546 1/20 0.33
LDHA P00338 1/20 0.33
POLB P06746 1/20 0.33
CFTR P13569 1/20 0.32
MCL1 Q07820 2/20 0.32
MDM2 Q00987 1/20 0.32
FADS1 O60427 1/20 0.32

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
SCHEMBL17469006 0.91 RIPK1 (0.35) KIF11HDAC2ARRIPK1POLB
SCHEMBL17469007 0.85 AR (0.38) KIF11HTR6ARRIPK1POLB
SCHEMBL17459385 0.82 TAS1R3 (0.38) HDAC2GSK3B
SCHEMBL17469158 0.81 GABRA1 (0.39) AR
SCHEMBL17468800 0.80 ALDH1A1 (0.35) FADS1
SCHEMBL17468913 0.79 CYP19A1 (0.38) AR
SCHEMBL17468801 0.79 POLB (0.36) KIF11HDAC2ARPOLBMCL1
SCHEMBL17468799 0.77 ALDH1A1 (0.40)
SCHEMBL17468915 0.76 LTA4H (0.31) GSK3BLDHAFADS1
SCHEMBL17469157 0.75 MAOB (0.38) FFAR1RIPK1

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