SCHEMBL28089595

SCHEMBL28089595

CCC(=O)OS.CCCCCOC(=O)CC

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.77
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 2/20 0.49
DGKA P23743 1/20 0.48
HTR2C P28335 1/20 0.47
EPHX1 P07099 1/20 0.46
DNM1 Q05193 1/20 0.44
TSHR P16473 3/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HCAR2 Q8TDS4 2/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL20847 0.89 NAAA (0.95) NAAARAD52NPSR1FAAHDGKA
SCHEMBL5436011 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1471551 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL545172 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL21044673 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL112452 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL21044637 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL127979 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL9335976 0.87 NAAA (1.00) NAAARAD52NPSR1FAAHDGKA
SCHEMBL4827855 0.87 NAAA (1.00) 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-104662094-B Semiaromatic polyamide composition film 尤尼吉可株式会社 2016-09-28 CN disclosed