SCHEMBL28600595

SCHEMBL28600595

C=C(C)C(=O)NCOCCCCO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ACHE P22303 6/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
THRB P10828 2/20 0.35
TSHR P16473 2/20 0.34
TGFBR1 P36897 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CES2 O00748 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL28595087 0.98 GAA (0.42) GAAACHECYP4F2CYP4A11THRB
SCHEMBL28587449 0.94 THRB (0.36) GAAACHECYP4F2CYP4A11THRB
SCHEMBL9011186 0.86 THRB (0.38) ACHETHRBTSHRTGFBR1ALDH1A1
SCHEMBL1122853 0.85 TSHR (0.50) ACHETHRBTSHRCES2MEN1
SCHEMBL9353689 0.84 TSHR (0.53) ACHETHRBTSHRCES2MEN1
SCHEMBL7776371 0.84 TSHR (0.53) ACHETHRBTSHRCES2MEN1
SCHEMBL2000921 0.84 TSHR (0.53) ACHETHRBTSHRCES2MEN1
SCHEMBL9353870 0.84 TSHR (0.53) ACHETHRBTSHRCES2MEN1
SCHEMBL1123160 0.84 TSHR (0.53) ACHETHRBTSHRCES2MEN1
SCHEMBL27019 0.83 TSHR (0.43) ACHETHRBTSHRCES2ALDH1A1

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