SCHEMBL6573133

SCHEMBL6573133

C[N+](C)(C)CC(CC(=O)[O-])OO[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 1/20 0.56
HRH1 P35367 1/20 0.56
CYP2C19 P33261 2/20 0.53
RECQL P46063 1/20 0.53
SLC22A16 Q86VW1 1/20 0.47
SLC25A20 O43772 3/20 0.46
TP53 P04637 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5712365 1.00 MEN1 (0.56) MEN1KMT2ACYP1A2HRH1CYP2C19
Nitric Acid SCHEMBL5712388 0.97 MEN1 (0.53) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL793089 0.83 MEN1 (0.59) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL29050652 0.79 MEN1 (0.60) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1208087 0.78 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17629809 0.78 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL4256715 0.78 MEN1 (0.71) MEN1KMT2ACYP1A2HRH1CYP2C19
Acetylcarnitine SCHEMBL28397518 0.75 MEN1 (0.84) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL5826284 0.75 MEN1 (0.57) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL7031982 0.74 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19

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
EP-1409448-A1 PROCESS FOR THE PREPARATION OF (R)- OR (S)-AMINOCARNITINE INNER SALT, THE SALTS AND DERIVATIVES THEREOF Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-21 EP claimed
WO-2003010129-A1 PROCESS FOR THE PREPARATION OF (R)- OR (S)-AMINOCARNITINE INNER SALT, THE SALTS AND DERIVATIVES THEREOF SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-06 WO claimed