SCHEMBL29623630

SCHEMBL29623630

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.38
SLC22A16 Q86VW1 1/20 0.35
BBOX1 O75936 2/20 0.33
CPT2 P23786 1/20 0.30
CPT1A P50416 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
SCHEMBL30201053 0.86 CA4 (0.41) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29840031 0.83 CA4 (0.38) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29780359 0.82 CA4 (0.37) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29839991 0.80 CA4 (0.38) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29840028 0.80 CA4 (0.38) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29840010 0.80 CA4 (0.38) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29426372 0.77 SLC22A16 (0.39) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29892199 0.77 SLC22A16 (0.39) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL30160923 0.74 CA4 (0.46) CA4SLC22A16BBOX1CPT2CPT1A
SCHEMBL29497518 0.74 CA4 (0.46) CA4SLC22A16BBOX1CPT2CPT1A

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