SCHEMBL17469150

SCHEMBL17469150

C=COC(=O)N1Cc2cccc(OC)c2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.35
MC4R P32245 1/20 0.34
KRAS P01116 6/20 0.33
MAPT P10636 2/20 0.33
ABHD6 Q9BV23 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
NR3C1 P04150 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
SCHEMBL17469142 0.85 MGLL (0.35) MGLLMC4RMAPTABHD6MEN1
SCHEMBL17459385 0.82 TAS1R3 (0.38) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL17469157 0.79 MAOB (0.38)
SCHEMBL17469158 0.79 GABRA1 (0.39) MEN1KMT2A
SCHEMBL17469006 0.78 RIPK1 (0.35) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL17468916 0.77 KIF11 (0.34) MGLLMAPTTSHR
SCHEMBL17468915 0.76 LTA4H (0.31) MGLL
SCHEMBL17469118 0.75 HTR1A (0.36)
SCHEMBL17468914 0.75 LTA4H (0.32)
SCHEMBL17469160 0.74 MGLL (0.35) MGLLMAPTMEN1KMT2ATRPV1

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