SCHEMBL17469006

SCHEMBL17469006

C=COC(=O)N1Cc2cc(Cl)ccc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
POLB P06746 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KIF11 P52732 1/20 0.32
FADS1 O60427 2/20 0.31
AR P10275 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
HDAC2 Q92769 1/20 0.31
NAMPT P43490 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL17469008 0.91 KIF11 (0.36) RIPK1POLBKIF11FADS1AR
SCHEMBL17469158 0.90 GABRA1 (0.39) HRH3ARMEN1KMT2AHCRTR2
SCHEMBL17459385 0.89 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2HDAC2NAMPT
SCHEMBL17469007 0.85 AR (0.38) RIPK1POLBKIF11ARTAS1R3
SCHEMBL17469157 0.84 MAOB (0.38) RIPK1HCRTR2
SCHEMBL17468915 0.81 LTA4H (0.31) FADS1
SCHEMBL17468913 0.80 CYP19A1 (0.38) AR
SCHEMBL17468916 0.79 KIF11 (0.34) KIF11
SCHEMBL17469150 0.78 MGLL (0.35) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL17468801 0.78 POLB (0.36) POLBKIF11ARTAS1R3TAS1R1

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