SCHEMBL17469009

SCHEMBL17469009

C=COC(=O)N1Cc2ccccc2OC(c2ccccc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.34
HTR6 P50406 6/20 0.34
LDHA P00338 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
LTA4H P09960 1/20 0.33
FFAR2 O15552 1/20 0.33
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 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
SCHEMBL17469007 0.90 AR (0.38) HTR6TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL17469002 0.87 ABHD6 (0.36) ABHD6HTR6LTA4HHPGDALDH1A1
SCHEMBL17459385 0.85 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2LTA4H
SCHEMBL17468913 0.84 CYP19A1 (0.38) ABHD6LTA4HHPGDALDH1A1TSHR
SCHEMBL17468801 0.84 POLB (0.36) ABHD6TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL17468798 0.81 TAS1R3 (0.38) ABHD6TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL17469136 0.79 SLC6A2 (0.32)
SCHEMBL17468800 0.78 ALDH1A1 (0.35) ABHD6HPGDALDH1A1
SCHEMBL17468797 0.78 LTA4H (0.33) ABHD6LTA4HALDH1A1MAPT
SCHEMBL17469012 0.78 NAMPT (0.41) ABHD6

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