SCHEMBL29264683

SCHEMBL29264683

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.43
CA1 P00915 3/20 0.43
MAPK1 P28482 1/20 0.43
ACE2 Q9BYF1 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.41
BLM P54132 1/20 0.41
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TBXAS1 P24557 2/20 0.34
GRIK1 P39086 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL30499378 0.98 ACE2 (0.45) CA2CA1MAPK1ACE2GAA
SCHEMBL29147476 0.88 CA2 (0.44) CA2CA1MAPK1ACE2GAA
SCHEMBL29152598 0.87 ACE2 (0.47) CA2CA1MAPK1ACE2GAA
SCHEMBL29013161 0.87 CA2 (0.52) CA2CA1MAPK1ACE2GAA
SCHEMBL31480565 0.87 CA2 (0.43) CA2CA1MAPK1GAAMEN1
SCHEMBL28722541 0.86 LTA4H (0.46) CA1ACE2GAAMEN1KMT2A
SCHEMBL30475458 0.85 CA2 (0.54) CA2CA1MAPK1GAAMEN1
SCHEMBL29253236 0.85 ACE2 (0.53) CA2CA1MAPK1ACE2GAA
SCHEMBL29147480 0.85 CA2 (0.50) CA2CA1MAPK1ACE2GAA
SCHEMBL27933679 0.84 CA2 (0.53) CA2CA1MAPK1GAAMEN1

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-118019750-A Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2024-05-10 CN disclosed