SCHEMBL24569342

SCHEMBL24569342

C=C(C)CCN(C=O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL21203873 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14
SCHEMBL21880331 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14
SCHEMBL22154645 0.76 CA14 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL15370926 0.76 CA14 (0.39) HDAC6HDAC1HDAC2CA14
SCHEMBL5742200 0.76 CA14 (0.39) HDAC6HDAC1HDAC2CA14
SCHEMBL24570234 0.75 SQLE (0.36) HDAC6
SCHEMBL9535145 0.75 HDAC6 (0.35) HDAC6HDAC1HDAC2CA14
SCHEMBL1193477 0.75 HDAC6 (0.35) HDAC6HDAC1HDAC2CA14
SCHEMBL9537778 0.75 CTSK (0.34) HDAC6HDAC1HDAC2CA14
SCHEMBL2836031 0.74 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14

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