SCHEMBL28587449

SCHEMBL28587449

C=C(C)C(=O)NCOCCCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TGFBR1 P36897 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ACHE P22303 7/20 0.32
TSHR P16473 3/20 0.32
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28600595 0.94 GAA (0.40) THRBTGFBR1GAAALDH1A1ACHE
SCHEMBL28595087 0.93 GAA (0.42) THRBTGFBR1GAAACHETSHR
SCHEMBL9011186 0.88 THRB (0.38) THRBTGFBR1ALDH1A1ACHETSHR
SCHEMBL27019 0.85 TSHR (0.43) THRBALDH1A1ACHETSHR
SCHEMBL2346839 0.83 ALDH1A1 (0.40) THRBTGFBR1ALDH1A1TSHRTDP1
SCHEMBL1122853 0.83 TSHR (0.50) THRBACHETSHR
SCHEMBL28586532 0.82 TGFBR1 (0.38) THRBTGFBR1ALDH1A1
SCHEMBL1123160 0.81 TSHR (0.53) THRBACHETSHR
SCHEMBL9353870 0.81 TSHR (0.53) THRBACHETSHR
SCHEMBL2000921 0.81 TSHR (0.53) THRBACHETSHR

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