SCHEMBL17469007

SCHEMBL17469007

C=COC(=O)N1Cc2cc(Cl)ccc2OC(c2ccccc2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
MCL1 Q07820 4/20 0.37
POLB P06746 1/20 0.35
HRH2 P25021 1/20 0.35
HTR6 P50406 5/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RIPK1 Q13546 1/20 0.33
FDFT1 P37268 1/20 0.33
AVPR1A P37288 1/20 0.33
KIF11 P52732 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
SCHEMBL17469009 0.90 ABHD6 (0.34) HTR6TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL17469006 0.85 RIPK1 (0.35) ARPOLBTAS1R3TAS1R1TAS1R2
SCHEMBL17469008 0.85 KIF11 (0.36) ARMCL1POLBHTR6RIPK1
SCHEMBL17468801 0.82 POLB (0.36) ARMCL1POLBHRH2TAS1R3
SCHEMBL17459385 0.79 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2
SCHEMBL17469002 0.77 ABHD6 (0.36) HTR6MAPTRIPK1
SCHEMBL17469158 0.77 GABRA1 (0.39) AR
SCHEMBL17468913 0.74 CYP19A1 (0.38) ARMAPT
SCHEMBL17468798 0.74 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2
SCHEMBL17468915 0.73 LTA4H (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 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