SCHEMBL28720983

SCHEMBL28720983

CCCCCCOC(=O)CC(CC(=O)OCCCC)(OCCCCCC)C(=O)OCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.45
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.44
EPHX1 P07099 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
DNM1 Q05193 1/20 0.38

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
SCHEMBL1332610 1.00 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL10825429 1.00 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL8147280 1.00 NAAA (0.53) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1072225 0.98 NAAA (0.55) NAAARAD52NPSR1FAAHDGKA
SCHEMBL3257866 0.98 NAAA (0.50) NAAARAD52NPSR1FAAHDGKA
SCHEMBL820029 0.98 NAAA (0.55) NAAARAD52NPSR1FAAHDGKA
SCHEMBL5166272 0.98 NAAA (0.55) NAAARAD52NPSR1FAAHDGKA
SCHEMBL2834493 0.95 NAAA (0.44) NAAARAD52NPSR1FAAHDGKA
SCHEMBL9195940 0.90 NAAA (0.50) NAAARAD52NPSR1FAAHDGKA
SCHEMBL676112 0.90 NAAA (0.50) NAAARAD52NPSR1FAAHDGKA

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-109689051-B Use of inhibitors of mitochondrial activity for the treatment of acute myeloid leukemia with poor prognosis 蒙特利尔大学 2022-03-29 CN disclosed