SCHEMBL29623681

SCHEMBL29623681

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CA4 P22748 1/20 0.33
SLC22A16 Q86VW1 1/20 0.30
MAPT P10636 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
SCHEMBL29780359 0.84 CA4 (0.37) CPT2CPT1ACA4SLC22A16
SCHEMBL30201053 0.76 CA4 (0.41) CPT2CPT1ACA4SLC22A16
SCHEMBL29780360 0.75 SLC7A5 (0.38) CPT2CPT1ACA4
Aspartic Acid SCHEMBL30218656 0.75 GRIK1 (0.35) CPT2CPT1ACA4SLC22A16MAPT
SCHEMBL30065458 0.75 CA4 (0.37) CPT2CPT1ACA4SLC22A16
3-Hydroxybutyric Acid, (+/-)- SCHEMBL30300556 0.74 SLC22A16 (0.35) CPT2CPT1ACA4SLC22A16MAPT
SCHEMBL29623630 0.73 CA4 (0.38) CPT2CPT1ACA4SLC22A16
SCHEMBL29840028 0.73 CA4 (0.38) CPT2CPT1ACA4SLC22A16
SCHEMBL29840010 0.73 CA4 (0.38) CPT2CPT1ACA4SLC22A16
SCHEMBL29840031 0.73 CA4 (0.38) CPT2CPT1ACA4SLC22A16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3967217-A1 BLOOD BASED BIOMARKERS FOR DIAGNOSING ATHEROSCLEROTIC CORONARY ARTERY DISEASE Global Genomics Group, LLC (US) 2022-03-16 EP disclosed