SCHEMBL23288787

SCHEMBL23288787

CC(C)(C)OC(=O)N(CCCCl)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CA14 Q9ULX7 1/20 0.38
CPB2 Q96IY4 14/20 0.36
DGAT1 O75907 1/20 0.33

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
SCHEMBL16947002 0.88 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL137000 0.85 HDAC6 (0.46) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL333215 0.82 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14
SCHEMBL3750380 0.82 TDP1 (0.43) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL21651913 0.82 CA12 (0.40) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL3882477 0.80 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL14396847 0.80 CA14 (0.41) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL3750504 0.80 CA14 (0.41) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL13451787 0.80 TDP1 (0.46) HDAC6HDAC1HDAC2CA14CPB2
SCHEMBL21010750 0.78 HDAC1 (0.41) HDAC6HDAC1HDAC2CA14CPB2

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-2021078132-A1 INHIBITORS OF MTOR-MEDIATED INDUCTION OF AUTOPHAGY SIRONAX LTD (GB) 2021-04-29 WO disclosed