Dodecanoate

Dodecanoate

SCHEMBL9956947

CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
CETP P11597 3/20 0.52
HTT P42858 1/20 0.52
GPR84 Q9NQS5 7/20 0.52
PPARG P37231 6/20 0.52
PPARD Q03181 6/20 0.52
PPARA Q07869 6/20 0.52
HDAC11 Q96DB2 5/20 0.52
TSHR P16473 4/20 0.52
TLR2 O60603 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FABP4 P15090 2/20 0.52
PTPN1 P18031 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
ESR1 P03372 1/20 0.52

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
Myristic Acid SCHEMBL29874573 1.00 PAM (0.54) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL872955 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL2457043 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
Benzyl Tetradecanoate SCHEMBL351857 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL7564307 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL1322235 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL9802928 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL6832768 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL296362 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD
SCHEMBL3836540 0.95 ALDH1A1 (0.57) PAMMEN1KMT2AALDH1A1HPGD

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