SCHEMBL29840010

SCHEMBL29840010

CC(CO)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
BBOX1 O75936 2/20 0.33
SLC22A16 Q86VW1 1/20 0.32
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
SCHEMBL29839991 0.87 CA4 (0.38) CA4BBOX1SLC22A16CPT2CPT1A
SCHEMBL30201053 0.83 CA4 (0.41) CA4BBOX1SLC22A16CPT2CPT1A
SCHEMBL30065458 0.82 CA4 (0.37) CA4SLC22A16CPT2CPT1A
SCHEMBL29652006 0.81 BLM (0.37) CA4BBOX1
SCHEMBL29623630 0.80 CA4 (0.38) CA4BBOX1SLC22A16CPT2CPT1A
SCHEMBL29840031 0.80 CA4 (0.38) CA4BBOX1SLC22A16CPT2CPT1A
SCHEMBL29840028 0.80 CA4 (0.38) CA4BBOX1SLC22A16CPT2CPT1A
SCHEMBL29780359 0.79 CA4 (0.37) CA4BBOX1SLC22A16CPT2CPT1A
SCHEMBL30160923 0.74 CA4 (0.46) CA4BBOX1SLC22A16CPT2CPT1A
SCHEMBL29497518 0.74 CA4 (0.46) CA4BBOX1SLC22A16CPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4319746-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2024-02-14 EP disclosed
WO-2022216848-A1 METHODS OF TREATING METHYLMALONIC ACIDEMIA AND PROPIONIC ACIDEMIA Hemoshear Therapeutics, Inc. (US) 2022-10-13 WO disclosed
WO-2022190030-A1 A TOPICAL FORMULATION FOR THE TREATMENT OF SKIN DISEASES AVACA PHARMA PRIVATE LIMITED (IN) 2022-09-15 WO disclosed