SCHEMBL28480930

SCHEMBL28480930

CCCCC(CCCC(C)C)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.48
TSHR P16473 2/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.43
PLA2G4B P0C869 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PNLIP P16233 1/20 0.41

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
SCHEMBL7859268 0.97 RARB (0.51) RARBTSHRPRKCAPRKCDMAPK1
SCHEMBL18485496 0.96 RARB (0.50) RARBTSHRPRKCAPRKCDMAPK1
SCHEMBL5371350 0.96 RARB (0.50) RARBTSHRPRKCAPRKCDMAPK1
SCHEMBL6670607 0.94 PRKCA (0.47) RARBTSHRPRKCAPRKCDMAPK1
SCHEMBL7864531 0.94 RARB (0.51) RARBTSHRPRKCAPRKCDMAPK1
SCHEMBL6671767 0.93 RARB (0.50) RARBTSHRMAPK1MAPTTP53
SCHEMBL6670588 0.93 RARB (0.50) RARBTSHRMAPK1MAPTTP53
SCHEMBL5371346 0.93 RARB (0.50) RARBTSHRMAPK1MAPTTP53
SCHEMBL6672236 0.93 RARB (0.50) RARBTSHRMAPK1MAPTTP53
SCHEMBL7866970 0.93 RARB (0.50) RARBTSHRMAPK1MAPTTP53

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-109563309-B Plasticizer composition and resin composition comprising the same 株式会社LG化学 2020-11-03 CN disclosed