Dodecanoate

Dodecanoate

SCHEMBL28099951

CCCCCCCCCCCC(=O)O.CCCCCCCCCOc1ccccc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 5/20 0.68
PPARA Q07869 2/20 0.62
LTA4H P09960 1/20 0.62
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
FAAH O00519 4/20 0.59

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
SCHEMBL8921617 0.93 PLA2G4B (0.76) PLA2G4BTP53TSHRGAAL3MBTL1
Sebacic Acid SCHEMBL27801980 0.92 L3MBTL1 (0.61) PLA2G4BPPARALTA4HL3MBTL1
Oleic Acid SCHEMBL8015357 0.91 PPARG (0.64) PLA2G4BPPARATSHRL3MBTL1FAAH
Oleic Acid SCHEMBL8499976 0.91 PPARG (0.64) PLA2G4BPPARATSHRL3MBTL1FAAH
Oleic Acid SCHEMBL8015359 0.91 PPARG (0.64) PLA2G4BPPARATSHRL3MBTL1FAAH
SCHEMBL25228768 0.91 PPARA (0.72) PPARA
SCHEMBL11616532 0.91 PPARA (0.72) PPARA
SCHEMBL503552 0.91 PPARA (0.72) PPARA
SCHEMBL6342300 0.91 PPARA (0.72) PPARA
SCHEMBL712775 0.91 PPARA (0.72) PPARA

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-106103836-B Synthetic fibre treating agent and application thereof 松本油脂制药株式会社 2018-07-10 CN disclosed
CN-106103836-A Synthetic fibre treating agent and application thereof 松本油脂制药株式会社 2016-11-09 CN disclosed