Ethyl Tetradecanoate

Ethyl Tetradecanoate

SCHEMBL8000997

CC(O)C(=O)O.CCCCCCCCCCCCCC(=O)OCC.CCCCCCCCCCCCCCCCCCC(CCCCC)C(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1

The experimentally established mechanism targets of Ethyl Tetradecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
PAM P19021 2/20 0.49
DGKA P23743 1/20 0.49
LMNA P02545 4/20 0.48
KDM4E B2RXH2 1/20 0.48
DUSP3 P51452 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR84 Q9NQS5 3/20 0.45
FAAH O00519 1/20 0.43

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
SCHEMBL17961063 0.94 DGKA (0.55) MAPTPAMDGKALMNAKDM4E
SCHEMBL30732583 0.92 DGKA (0.53) MAPTPAMDGKALMNAKDM4E
Lactic Acid SCHEMBL28661413 0.91 MAPT (0.64) MAPTPAMDGKALMNAKDM4E
Lactic Acid SCHEMBL29127009 0.89 MAPT (0.61) MAPTPAMDGKALMNAKDM4E
SCHEMBL18000928 0.88 PAM (0.49) MAPTPAMDGKALMNAKDM4E
Ethyl Tetradecanoate SCHEMBL29418166 0.88 CA2 (0.58) MAPTPAMDGKALMNAKDM4E
SCHEMBL31239221 0.88 CA2 (0.58) MAPTPAMDGKALMNAKDM4E
SCHEMBL29833581 0.88 CA2 (0.58) MAPTPAMDGKALMNAKDM4E
SCHEMBL8163843 0.88 CA2 (0.58) MAPTPAMDGKALMNAKDM4E
SCHEMBL31231845 0.88 CA2 (0.58) MAPTPAMDGKALMNAKDM4E

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-1011609-A4 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 2000-08-16 EP disclosed
EP-1011609-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MedLogic Global Corporation (US) 2000-06-28 EP disclosed
WO-1998050005-A1 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORPORATION (US) 1998-11-12 WO disclosed