SCHEMBL24447239

SCHEMBL24447239

C=CCCN(CC(=O)CC)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL15645124 0.85 CA14 (0.44) CA14HDAC6L3MBTL1
SCHEMBL20055158 0.84 CA14 (0.36) CA14HDAC6L3MBTL1
SCHEMBL21425191 0.84 CA14 (0.38) CA14HDAC6L3MBTL1
SCHEMBL16893294 0.83 CA14 (0.35) CA14HDAC6L3MBTL1
SCHEMBL14639322 0.82 HDAC6 (0.35) CA14HDAC6L3MBTL1
SCHEMBL24587256 0.81 CA14 (0.33) CA14HDAC6
SCHEMBL15694959 0.81 CA14 (0.38) CA14HDAC6L3MBTL1
SCHEMBL18387953 0.79 CA14 (0.33) CA14HDAC6L3MBTL1
SCHEMBL24840513 0.77 CA14 (0.35) CA14HDAC6L3MBTL1
SCHEMBL25247476 0.77 CA14 (0.41) CA14HDAC6L3MBTL1

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-3774843-B1 DIPEPTIDE PIPERIDINE DERIVATIVES MOLECURE SA (PL) 2022-05-25 EP disclosed