SCHEMBL29892199

SCHEMBL29892199

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.39
CA4 P22748 1/20 0.38
BBOX1 O75936 2/20 0.36
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH1 P35367 1/20 0.30
KMT2A Q03164 1/20 0.30
CRAT P43155 1/20 0.30

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
SCHEMBL30424012 1.00 SLC22A16 (0.39) SLC22A16CA4BBOX1CPT2CPT1A
SCHEMBL29426372 1.00 SLC22A16 (0.39) SLC22A16CA4BBOX1CPT2CPT1A
SCHEMBL29396826 0.88 CA2 (0.41) SLC22A16CA4BBOX1CPT2CPT1A
3-Hydroxybutyric Acid, (+/-)- SCHEMBL30300543 0.85 SLC22A16 (0.33) SLC22A16CA4BBOX1MEN1KMT2A
3-Hydroxybutyric Acid, (+/-)- SCHEMBL30300542 0.85 SLC22A16 (0.33) SLC22A16CA4BBOX1MEN1KMT2A
3-Hydroxybutyric Acid, (+/-)- SCHEMBL30300556 0.81 SLC22A16 (0.35) SLC22A16CA4BBOX1CPT2CPT1A
SCHEMBL30876948 0.81 SLC22A16 (0.39) SLC22A16CA4CPT2CPT1A
SCHEMBL34467864 0.80 BBOX1 (0.38) SLC22A16CA4BBOX1
SCHEMBL30201053 0.79 CA4 (0.41) SLC22A16CA4BBOX1CPT2CPT1A
SCHEMBL31046982 0.79 CA4 (0.43) SLC22A16CA4

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
CN-118489060-A Compositions and methods for diagnosing and treating chronic kidney disease 雀巢产品有限公司 2024-08-13 CN claimed
EP-4457514-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE Société des Produits Nestlé S.A. (CH) 2024-11-06 EP disclosed
CN-118489060-A Compositions and methods for diagnosing and treating chronic kidney disease 雀巢产品有限公司 2024-08-13 CN disclosed
WO-2023126759-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE Société des Produits Nestlé S.A. (CH) 2023-07-06 WO disclosed
CN-114981452-A Biomarkers and their use for diagnosing silent periods of alzheimer's disease 阿根特公司 2022-08-30 CN disclosed