SCHEMBL29236455

SCHEMBL29236455

CCCCCCCCCCCCCCCCC(C)C(=O)OOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
FAAH O00519 2/20 0.46
ACE2 Q9BYF1 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
FDPS P14324 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL22773828 0.84 CA1 (0.50) CA1ACE2ZDHHC7FDPSALDH1A1
SCHEMBL27720705 0.84 CA1 (0.48) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL7751076 0.83 CA1 (0.52) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL11352054 0.83 CA1 (0.52) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL27971921 0.83 CA1 (0.52) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL27496364 0.83 CA1 (0.52) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL27864059 0.83 CA1 (0.52) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL7922861 0.82 CA1 (0.47) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL8994069 0.80 CA1 (0.57) CA1FAAHACE2ZDHHC7FFAR1
SCHEMBL8052116 0.80 CA1 (0.57) CA1FAAHACE2ZDHHC7FFAR1

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-117986692-A Acetoxy fatty acid methyl ester environment-friendly plasticizer, and preparation method and application thereof 绍兴宏润消防器材有限公司 2024-05-07 CN disclosed