SCHEMBL17469112

SCHEMBL17469112

CCN1Cc2c(OC)cccc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 2/20 0.37
DRD4 P21917 4/20 0.36
DRD2 P14416 2/20 0.36
HTR1A P08908 2/20 0.35
HTR2A P28223 2/20 0.35
DRD1 P21728 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL17469110 0.86 DRD3 (0.36) LTA4HDRD2
SCHEMBL17469113 0.85 KIF11 (0.40) LTA4HDRD2SLC6A2SLC6A4SLC6A3
SCHEMBL17469123 0.84 KIF11 (0.34) LTA4HDRD2
SCHEMBL17469109 0.84 KIF11 (0.34) ALDH1A1HPGDLTA4HDRD2
SCHEMBL17469120 0.83 LTA4H (0.34) LTA4H
SCHEMBL17469108 0.82 KIF11 (0.33) LTA4HDRD2
SCHEMBL17468921 0.82 LTA4H (0.37) LTA4HDRD2
SCHEMBL17469118 0.82 HTR1A (0.36) ALDH1A1DRD4DRD2HTR1AADRA1D
SCHEMBL17459409 0.78 SLC6A2 (0.40) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL17469070 0.75 GUSB (0.41) KDM4EALDH1A1HPGDLTA4HSLC6A2

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