SCHEMBL17469157

SCHEMBL17469157

C=COC(=O)N1Cc2ccc(OC)cc2OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.38
CYP19A1 P11511 5/20 0.38
CYP3A4 P08684 1/20 0.38
RIPK1 Q13546 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RYR2 Q92736 1/20 0.35
FFAR1 O14842 4/20 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
SCHEMBL17469158 0.92 GABRA1 (0.39) MAOBCYP19A1CYP3A4HCRTR1HCRTR2
SCHEMBL17469006 0.84 RIPK1 (0.35) RIPK1HCRTR2
SCHEMBL17459385 0.84 TAS1R3 (0.38)
SCHEMBL17469150 0.79 MGLL (0.35)
SCHEMBL17469142 0.79 MGLL (0.35) ALDH1A1
SCHEMBL17468916 0.77 KIF11 (0.34)
SCHEMBL17468915 0.76 LTA4H (0.31)
SCHEMBL17469008 0.75 KIF11 (0.36) RIPK1FFAR1
SCHEMBL17469114 0.75 MAOB (0.41) MAOBCYP19A1CYP3A4HCRTR1HCRTR2
SCHEMBL17468914 0.75 LTA4H (0.32)

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