SCHEMBL17469012

SCHEMBL17469012

C=COC(=O)N1Cc2ccccc2OC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.41
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
GSK3B P49841 1/20 0.36
LIPE Q05469 2/20 0.35
ABHD6 Q9BV23 1/20 0.35
TRPM8 Q7Z2W7 3/20 0.34
TEAD1 P28347 1/20 0.33
PAX8 Q06710 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL17468913 0.88 CYP19A1 (0.38) ABHD6
SCHEMBL17459385 0.86 TAS1R3 (0.38) NAMPTGSK3B
SCHEMBL17468797 0.84 LTA4H (0.33) NAMPTABHD6
SCHEMBL17469136 0.82 SLC6A2 (0.32)
SCHEMBL17468800 0.82 ALDH1A1 (0.35) NAMPTABHD6
SCHEMBL17468799 0.81 ALDH1A1 (0.40) NAMPT
SCHEMBL17469002 0.80 ABHD6 (0.36) NAMPTSIRT2SIRT1ABHD6
SCHEMBL17469009 0.78 ABHD6 (0.34) ABHD6
SCHEMBL17468798 0.77 TAS1R3 (0.38) NAMPTABHD6
SCHEMBL17469160 0.77 MGLL (0.35) SIRT2SIRT1

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