SCHEMBL28040053

SCHEMBL28040053

CCCCC(=O)C(C(C)=O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.42
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CES1 P23141 2/20 0.39
CES2 O00748 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL14065144 0.93 MEN1 (0.50) ZDHHC7MEN1FAAHMAPK1KMT2A
SCHEMBL4727242 0.88 CA1 (0.38) CA1CA2ZDHHC7CES1CES2
SCHEMBL10861271 0.85 ALDH1A1 (0.43) CES1CES2ALDH1A1
SCHEMBL10485422 0.79 CA1 (0.36) CA1CA2ZDHHC7ALDH1A1
SCHEMBL1549381 0.78 TSHR (0.33) ALDH1A1
SCHEMBL14065156 0.78 CES2 (0.48) FAAHCES1CES2
SCHEMBL14065174 0.78 CES2 (0.48) FAAHCES1CES2
SCHEMBL12749831 0.78 CES2 (0.48) FAAHCES1CES2
SCHEMBL7209898 0.76 CA1 (0.47) CA1CA2ZDHHC7MEN1FAAH
SCHEMBL9247380 0.76 ALDH1A1 (0.46) KMT2ACES2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209425-B Aluminum chelate compound and room temperature-curable resin composition containing same 信越化学工业株式会社 2017-12-12 CN disclosed
CN-105209425-A Aluminum chelate compound and room temperature-curable resin composition containing same SHINETSU CHEMICAL CO 2015-12-30 CN disclosed