SCHEMBL31344772

SCHEMBL31344772

CCCC/C(=C\C(=O)O)C(=O)O[Si](CCCC)(CCCC)CCCC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
APEX1 P27695 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31
AKR1B1 P15121 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 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
SCHEMBL28602118 1.00 CES2 (0.32) CES2CES1APEX1HCAR2AKR1B1
SCHEMBL28602116 0.87 ALDH1A1 (0.32) CES2CES1ALDH1A1TP53
SCHEMBL8665775 0.80 HCAR2 (0.33) HCAR2ALDH1A1
SCHEMBL8667060 0.80 HCAR2 (0.33) HCAR2ALDH1A1
SCHEMBL8665771 0.80 HCAR2 (0.33) HCAR2ALDH1A1
SCHEMBL28381544 0.79 CES2 (0.31) CES2CES1APEX1HCAR2
SCHEMBL555291 0.78 APEX1 (0.39) CES2CES1APEX1HCAR2AKR1B1
SCHEMBL1581723 0.78 CES1 (0.38) CES2CES1APEX1HCAR2AKR1B1
SCHEMBL3977487 0.78 CES1 (0.38) CES2CES1APEX1HCAR2AKR1B1
SCHEMBL4795564 0.76 FAAH (0.44) CES2CES1APEX1HCAR2AKR1B1

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-109952328-B (Meth) acrylic copolymer, coating composition, coated article, and method for forming multilayer coating film 三菱化学株式会社 2025-01-14 CN disclosed