SCHEMBL17469113

SCHEMBL17469113

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
LTA4H P09960 12/20 0.34
DRD3 P35462 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
DRD2 P14416 1/20 0.33

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 0.89 DRD3 (0.36) KIF11LTA4HDRD3DRD2
SCHEMBL17469123 0.87 KIF11 (0.34) KIF11LTA4HDRD3DRD2
SCHEMBL17469109 0.87 KIF11 (0.34) KIF11LTA4HDRD3DRD2
SCHEMBL17469108 0.85 KIF11 (0.33) KIF11LTA4HDRD3DRD2
SCHEMBL17468921 0.85 LTA4H (0.37) KIF11LTA4HDRD3DRD2
SCHEMBL17469112 0.85 KDM4E (0.38) LTA4HSLC6A2SLC6A4SLC6A3DRD2
SCHEMBL17469120 0.84 LTA4H (0.34) KIF11LTA4HDRD3
SCHEMBL17459409 0.81 SLC6A2 (0.40) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL17469070 0.78 GUSB (0.41) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL17468916 0.73 KIF11 (0.34) KIF11LTA4HDRD2

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