SCHEMBL28290925

SCHEMBL28290925

CCCCCC1CC(CCOC=O)=NO1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.34
ITGA2B P08514 6/20 0.34
CYP1A2 P05177 3/20 0.33
MIF P14174 3/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL28290933 0.84 GRM2 (0.32)
SCHEMBL28801691 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28292337 0.79 TAAR1 (0.35) ITGB3ITGA2BMIF
SCHEMBL28290944 0.78 ITGB3 (0.37) ITGB3ITGA2BEPHX2
SCHEMBL28292335 0.77 ITGB3 (0.37) ITGB3ITGA2BEPHX2
SCHEMBL28290921 0.76 PPARG (0.40) ITGB3ITGA2BPPARG
SCHEMBL28290913 0.76 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL10390644 0.75 ALDH1A1 (0.47) CYP1A2ALDH1A1EPHX1PPARGSIRT2
SCHEMBL28292350 0.74 TAAR1 (0.39) ITGB3ITGA2BMIF
SCHEMBL28290929 0.73 ITGB3 (0.38) ITGB3ITGA2B

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
CN-106572659-B Harmful arthropod agent for preventing and eliminating containing amide compound 住友化学株式会社 2019-05-10 CN disclosed