SCHEMBL17468801

SCHEMBL17468801

C=COC(=O)N1Cc2ccccc2OC(c2ccc(Cl)cc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MCL1 Q07820 3/20 0.33
USP30 Q70CQ3 1/20 0.32
AR P10275 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HRH2 P25021 1/20 0.32
CHRM4 P08173 1/20 0.32
AHR P35869 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 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
SCHEMBL17468798 0.90 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2CHRM4AHR
SCHEMBL17469002 0.88 ABHD6 (0.36) AHRALDH1A1MAPTALOX15ABHD6
SCHEMBL17469009 0.84 ABHD6 (0.34) TAS1R3TAS1R1TAS1R2ALDH1A1MAPT
SCHEMBL17459385 0.84 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL17469007 0.82 AR (0.38) POLBMCL1ARTAS1R3TAS1R1
SCHEMBL17468800 0.81 ALDH1A1 (0.35) ALDH1A1ABHD6NPC1RAB9ASMN1; SMN2
SCHEMBL17469008 0.79 KIF11 (0.36) POLBMCL1ARKIF11HDAC2
SCHEMBL17468913 0.79 CYP19A1 (0.38) ARALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL17469006 0.78 RIPK1 (0.35) POLBARTAS1R3TAS1R1TAS1R2
SCHEMBL17459478 0.77 SLC22A12 (0.34) ALDH1A1MAPT

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