SCHEMBL28595087

SCHEMBL28595087

C=C(C)C(=O)NCOCCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ACHE P22303 6/20 0.40
TSHR P16473 2/20 0.37
CES2 O00748 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
THRB P10828 2/20 0.34
TGFBR1 P36897 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL28600595 0.98 GAA (0.40) GAAACHETSHRCES2TDP1
SCHEMBL28587449 0.93 THRB (0.36) GAAACHETSHRTDP1CYP4F2
SCHEMBL7776371 0.86 TSHR (0.53) ACHETSHRCES2THRBMEN1
SCHEMBL9353870 0.86 TSHR (0.53) ACHETSHRCES2THRBMEN1
SCHEMBL9353689 0.86 TSHR (0.53) ACHETSHRCES2THRBMEN1
SCHEMBL1123160 0.86 TSHR (0.53) ACHETSHRCES2THRBMEN1
SCHEMBL2000921 0.86 TSHR (0.53) ACHETSHRCES2THRBMEN1
SCHEMBL9011186 0.85 THRB (0.38) ACHETSHRTHRBTGFBR1MEN1
SCHEMBL1122853 0.84 TSHR (0.50) ACHETSHRCES2THRBMEN1
SCHEMBL27019 0.81 TSHR (0.43) ACHETSHRCES2THRBMAPT

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-107960089-B Composition for coating thermoplastic polymer film, aqueous liquid of the composition, method for producing the aqueous liquid, thermoplastic polymer film, and method for producing thermoplastic polymer film 竹本油脂株式会社 2021-02-19 CN disclosed