SCHEMBL24569698

SCHEMBL24569698

C=C(C)[C@@H](C)CN(C=O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 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
SCHEMBL24569367 1.00 HDAC6 (0.31) HDAC6
SCHEMBL9535948 0.82 HDAC6 (0.37) HDAC6
SCHEMBL9537778 0.76 CTSK (0.34) HDAC6
SCHEMBL24569342 0.74 HDAC6 (0.36) HDAC6
SCHEMBL2836031 0.72 HDAC6 (0.38) HDAC6
SCHEMBL23221887 0.70 HDAC6 (0.32) HDAC6
SCHEMBL20670458 0.70 NFKB1 (0.34) HDAC6
SCHEMBL22154645 0.67 CA14 (0.36) HDAC6
SCHEMBL9535145 0.66 HDAC6 (0.35) HDAC6
SCHEMBL17039171 0.66 HDAC6 (0.33) HDAC6

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
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed