Propionyl-Carnitine

Propionyl-Carnitine

SCHEMBL583770

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

nearest known ligand 0.88

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.88
KMT2A Q03164 5/20 0.88
CYP2C19 P33261 2/20 0.88
RECQL P46063 1/20 0.88
SLC22A16 Q86VW1 1/20 0.62
CYP1A2 P05177 4/20 0.61
HRH1 P35367 1/20 0.61
SLC25A20 O43772 3/20 0.61
TP53 P04637 3/20 0.61
TSHR P16473 3/20 0.61
MAPT P10636 3/20 0.61
CYP2D6 P10635 2/20 0.61
SLC6A5 Q9Y345 2/20 0.61
CYP2C9 P11712 2/20 0.61
HIF1A Q16665 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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 SCHEMBL7177881 0.94 MEN1 (0.78) MEN1KMT2ACYP2C19RECQLSLC22A16
Propionyl-Carnitine SCHEMBL994714 0.94 MEN1 (1.00) MEN1KMT2ACYP2C19RECQLSLC22A16
Propionyl-Carnitine SCHEMBL156850 0.94 MEN1 (1.00) MEN1KMT2ACYP2C19RECQLSLC22A16
Levocarnitine Propionate SCHEMBL464940 0.94 MEN1 (1.00) MEN1KMT2ACYP2C19RECQLSLC22A16
Levocarnitine Propionate SCHEMBL3005249 0.92 MEN1 (0.97) MEN1KMT2ACYP2C19RECQLSLC22A16
Levocarnitine Propionate SCHEMBL1358528 0.92 MEN1 (0.97) MEN1KMT2ACYP2C19RECQLSLC22A16
Propionyl-Carnitine SCHEMBL1358526 0.92 MEN1 (0.97) MEN1KMT2ACYP2C19RECQLSLC22A16
Propionyl-Carnitine SCHEMBL19617435 0.89 MEN1 (0.90) MEN1KMT2ACYP2C19RECQLCYP1A2
Butyryl-Carnitine SCHEMBL17847433 0.88 MEN1 (0.68) MEN1KMT2ACYP2C19RECQLSLC22A16
Levocarnitine Propionate SCHEMBL7941524 0.88 MEN1 (0.82) MEN1KMT2ACYP2C19RECQLSLC22A16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416770-B1 HEMODIALYSIS AND PERITONEAL DIALYSIS SOLUTIONS COMPRISING ONE OR MORE CREATINE COMPOUNDS CREARENE LTD (BS) 2016-10-26 EP claimed
US-20160120829-A1 HEMODIALYSIS AND PERITONEAL DIALYSIS SOLUTIONS COMPRISING ONE OR MORE CREATINE COMPOUNDS CREARENE LTD. (BS) 2016-05-05 US disclosed
EP-2416770-A1 HEMODIALYSIS AND PERITONEAL DIALYSIS SOLUTIONS COMPRISING ONE OR MORE CREATINE COMPOUNDS Crearene Ltd. (BS) 2012-02-15 EP disclosed
WO-2010115291-A1 HEMODIALYSIS AND PERITONEAL DIALYSIS SOLUTIONS COMPRISING ONE OR MORE CREATINE COMPOUNDS MOEDDEL MICHAEL (CH) 2010-10-14 WO disclosed