Propionyl-Carnitine

Propionyl-Carnitine

SCHEMBL6919852

CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.76

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
CYP2C19 P33261 2/20 0.76
RECQL P46063 1/20 0.76
CYP1A2 P05177 3/20 0.70
HRH1 P35367 1/20 0.70
SLC25A20 O43772 3/20 0.54
TSHR P16473 3/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
CYP2D6 P10635 2/20 0.54
SLC6A5 Q9Y345 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50

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
Levocarnitine Propionate SCHEMBL4557816 1.00 MEN1 (0.76) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL464880 0.89 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL232682 0.89 MEN1 (0.73) MEN1KMT2ACYP2C19RECQLCYP1A2
Levocarnitine Propionate SCHEMBL7177881 0.88 MEN1 (0.78) MEN1KMT2ACYP2C19RECQLCYP1A2
Hydrochloric Acid SCHEMBL9465317 0.87 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2
Propionyl-Carnitine SCHEMBL994714 0.87 MEN1 (1.00) MEN1KMT2ACYP2C19RECQLCYP1A2
Propionyl-Carnitine SCHEMBL156850 0.87 MEN1 (1.00) MEN1KMT2ACYP2C19RECQLCYP1A2
Levocarnitine Propionate SCHEMBL464940 0.87 MEN1 (1.00) MEN1KMT2ACYP2C19RECQLCYP1A2
Butyryl-Carnitine SCHEMBL6469306 0.86 MEN1 (0.76) MEN1KMT2ACYP2C19RECQLCYP1A2
Propionyl-Carnitine SCHEMBL1358526 0.85 MEN1 (0.97) MEN1KMT2ACYP2C19RECQLCYP1A2

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
US-20040132821-A1 Therapeutic combination of carnitine and antioxidant polyphenols CREAGRI, INC. 2004-07-08 US disclosed
CN-1315835-A Antioxidant composition comprising acetyl L-carnitine and alpha-lipoic acid SIGMA TAU HEALTHSCIENCE SPA (IT) 2001-10-03 CN disclosed