SCHEMBL17469160

SCHEMBL17469160

C=COC(=O)N1Cc2c(cccc2C(F)(F)F)OC(c2ccc(Cl)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.35
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SSTR4 P31391 1/20 0.31
MAPT P10636 1/20 0.30
P2RX7 Q99572 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
FADS1 O60427 1/20 0.30

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
SCHEMBL17468915 0.87 LTA4H (0.31) MGLLFADS1
SCHEMBL17469142 0.86 MGLL (0.35) MGLLMEN1KMT2AMAPT
SCHEMBL17468916 0.85 KIF11 (0.34) MGLLMAPT
SCHEMBL17468914 0.84 LTA4H (0.32)
SCHEMBL17459385 0.81 TAS1R3 (0.38) MEN1KMT2A
SCHEMBL17469006 0.77 RIPK1 (0.35) MEN1KMT2AFADS1
SCHEMBL17469012 0.77 NAMPT (0.41) SIRT2SIRT1
SCHEMBL17469150 0.74 MGLL (0.35) MGLLTRPV1MEN1KMT2AMAPT
SCHEMBL17469157 0.74 MAOB (0.38)
SCHEMBL17469158 0.74 GABRA1 (0.39) MEN1KMT2A

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