Triacetin

Triacetin

SCHEMBL6398249

CC(=O)OCC(COC(C)=O)OC(C)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 1/20 0.40
PDE4A P27815 1/20 0.39
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

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
Sorbitol SCHEMBL3029801 0.95 PRKCA (0.50) PRKCATDP1LMNAL3MBTL1PDE4A
Triacetin SCHEMBL29242627 0.94 PRKCA (0.47) PRKCATDP1LMNAARGAA
Triacetin SCHEMBL890839 0.85 PRKCA (0.46) PRKCATDP1ARGAA
Triacetin SCHEMBL1531419 0.85 PRKCA (0.46) PRKCATDP1LMNAARGAA
SCHEMBL349280 0.84 LMNA (0.48) TDP1LMNAL3MBTL1PDE4AUSP2
Triacetin SCHEMBL22160048 0.84 PRKCA (0.57) PRKCATDP1AR
SCHEMBL5909539 0.84 LMNA (0.48) TDP1LMNAL3MBTL1PDE4AUSP2
SCHEMBL347295 0.84 LMNA (0.48) TDP1LMNAL3MBTL1PDE4AUSP2
Triacetin SCHEMBL821340 0.84 TDP1 (0.56) PRKCATDP1LMNAARGAA
Triacetin SCHEMBL3870 0.84 TDP1 (0.56) PRKCATDP1LMNAARGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050232957-A1 Compositions and methods for moisturizing skin TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2005-10-20 US claimed
US-20050232957-A1 Compositions and methods for moisturizing skin TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE 2005-10-20 US disclosed
EP-0999844-A1 PRETREATING HYPERLIPIDEMIC INDIVIDUALS WITH A FLUSH INHIBITING AGENT PRIOR TO NICOTINIC ACID THERAPY KOS PHARMACEUTICALS, INC. (US) 2000-05-17 EP disclosed
WO-1999006052-A1 METHODS OF PRETREATING HYPERLIPIDEMIC INDIVIDUALS WITH A FLUSH INHIBITING AGENT PRIOR TO THE START OF SINGLE DAILY DOSE NICOTINIC ACID THERAPY TO REDUCE FLUSHING PROVOKED BY NICOTINIC ACID KOS PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
EP-0596437-A2 Biodegradable polymer blend composition Bio-tec Biologische Naturverpackungen GmbH (DE) 1994-05-11 EP disclosed