SCHEMBL16344748

SCHEMBL16344748

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

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.88
KMT2A Q03164 5/20 0.88
MAPT P10636 4/20 0.88
SLC25A20 O43772 3/20 0.88
TP53 P04637 3/20 0.88
TSHR P16473 3/20 0.88
CYP2D6 P10635 2/20 0.88
SLC6A5 Q9Y345 2/20 0.88
CYP2C19 P33261 2/20 0.88
CYP2C9 P11712 2/20 0.88
HIF1A Q16665 2/20 0.88
KDM4E B2RXH2 1/20 0.88
CYP3A4 P08684 1/20 0.88
NFKB1 P19838 1/20 0.88
THPO P40225 1/20 0.88
HSD17B10 Q99714 1/20 0.88
RECQL P46063 1/20 0.71
MAPK1 P28482 4/20 0.66
CYP1A2 P05177 4/20 0.66
GMNN O75496 3/20 0.66

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
SCHEMBL17891458 1.00 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17891452 1.00 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL18075036 1.00 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17891447 1.00 MEN1 (0.88) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17891477 0.98 MEN1 (0.85) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL2351087 0.95 MEN1 (0.80) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL25373354 0.94 MAPT (1.00) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL288242 0.94 MAPT (1.00) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL6425960 0.94 MEN1 (0.79) MEN1KMT2AMAPTSLC25A20TP53
SCHEMBL17164609 0.94 MAPT (1.00) MEN1KMT2AMAPTSLC25A20TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118731196-A Qualitative and quantitative detection and analysis method and system for acyl carnitine and compound thereof 复旦大学 2024-10-01 CN claimed
CN-118731196-A Qualitative and quantitative detection and analysis method and system for acyl carnitine and compound thereof 复旦大学 2024-10-01 CN disclosed
US-20220142948-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-05-12 US disclosed
US-10451641-B2 Compositions and methods for metabolic profiling in subjects with heart failure with preserved ejection fraction DUKE UNIVERSITY (US) 2019-10-22 US disclosed
US-20180067137-A1 COMPOSITIONS AND METHODS FOR METABOLIC PROFILING IN SUBJECTS WITH HEART FAILURE WITH PRESERVED EJECTION FRACTION DUKE UNIVERSITY (US) 2018-03-08 US disclosed
WO-2016149220-A1 COMPOSITIONS AND METHODS FOR METABOLIC PROFILING IN SUBJECTS WITH HEART FAILURE WITH PRESERVED EJECTION FRACTION DUKE UNIVERSITY (US) 2016-09-22 WO disclosed
WO-2015003001-A1 METHODS FOR IDENTIFYING SUPPLEMENTS THAT INCREASE GUT COLONIZATION BY AN ISOLATED BACTERIAL SPECIES, AND COMPOSITIONS DERIVED THEREFROM THE WASHINGTON UNIVERSITY (US) 2015-01-08 WO disclosed