SCHEMBL5580137

SCHEMBL5580137

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CA14 Q9ULX7 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 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
SCHEMBL8806268 0.83 HDAC6 (0.41) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL3884537 0.83 HDAC6 (0.44) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL1706932 0.80 HDAC6 (0.38) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL1401436 0.80 AKT1 (0.39) AKT1HDAC6HDAC1HDAC2NFKB1
SCHEMBL963261 0.78 HDAC6 (0.38) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL5555258 0.78 HDAC6 (0.57) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL3884535 0.77 HDAC6 (0.40) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL15734005 0.76 NFKB1 (0.44) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL4676227 0.76 HDAC6 (0.46) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL27765894 0.76 HDAC6 (0.46) HDAC6HDAC1HDAC2NFKB1NFKB2

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
US-20070264667-A1 Method and system for assaying transferase activity GELLIBOLIAN ROBERT 2007-11-15 US disclosed
WO-2005024380-A9 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-07-07 WO disclosed
WO-2005024380-A2 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-03-17 WO disclosed