Undecanoate

Undecanoate

SCHEMBL9955968

CCCCCCCCCCC(=O)O.CCCCCCCCCCCCC(CC)C(=O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.68
MAPK1 P28482 1/20 0.68
FFAR4 Q5NUL3 2/20 0.65
FFAR1 O14842 2/20 0.65
GPR84 Q9NQS5 7/20 0.63
PPARG P37231 7/20 0.63
PPARD Q03181 7/20 0.63
PPARA Q07869 7/20 0.63
HDAC11 Q96DB2 5/20 0.63
TSHR P16473 4/20 0.63
PTPN1 P18031 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TLR2 O60603 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
FABP4 P15090 2/20 0.63
KMT2A Q03164 2/20 0.63
SLC22A6 Q4U2R8 1/20 0.63
SLC22A8 Q8TCC7 1/20 0.63
MEN1 O00255 1/20 0.63
ESR1 P03372 1/20 0.63

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
Decanoic Acid SCHEMBL9958571 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GPR84
Lignoceric Acid SCHEMBL29994201 1.00 CA2 (0.68) CA2MAPK1FFAR4FFAR1GPR84
Stearic Acid SCHEMBL2585578 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84
Behenic Acid SCHEMBL6871644 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84
2-Ethylhexanoic Acid SCHEMBL28500508 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84
Palmitic Acid SCHEMBL633826 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84
Stearic Acid SCHEMBL7028397 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84
2-Ethylhexanoic Acid SCHEMBL3127804 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84
Myristic Acid SCHEMBL28575932 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84
2-Ethylhexanoic Acid SCHEMBL18009668 0.96 CA2 (0.74) CA2MAPK1FFAR4FFAR1GPR84

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2741731-A1 ENCAPSULATES The Procter and Gamble Company (US) 2014-06-18 EP disclosed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO disclosed
WO-2012085864-A1 ENCAPSULATES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2012-06-28 WO disclosed