SCHEMBL16622303

SCHEMBL16622303

CNC(=O)C(C)(C)CC(C)(C)C(=O)NO

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MMP8 P22894 1/20 0.32

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
SCHEMBL14877799 0.90
SCHEMBL24000070 0.81
SCHEMBL13640915 0.81 CA2 (0.35) CA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16523785 0.81 TSHR (0.33)
SCHEMBL12949585 0.80 POLB (0.31)
SCHEMBL18051751 0.80 CA2 (0.38) CA2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27267138 0.78 ALDH1A1 (0.30)
SCHEMBL20696336 0.77 DGAT1 (0.35)
SCHEMBL23641271 0.77
SCHEMBL16622294 0.77 MMP8 (0.38) CA2HDAC3HDAC4HDAC1HDAC7

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-3354265-A1 TREATMENT OF SOLID TUMORS President and Fellows of Harvard College (US) 2018-08-01 EP disclosed
EP-2019674-B1 HISTONE DEACETYLASE AND TUBULIN DEACETYLASE INHIBITORS HARVARD COLLEGE (US) 2016-11-23 EP disclosed
US-8999289-B2 Treatment of protein degradation disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-07 US disclosed