SCHEMBL963261

SCHEMBL963261

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TSHR P16473 1/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
THRB P10828 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA14 Q9ULX7 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 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
SCHEMBL8806268 0.82 HDAC6 (0.41) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL3884537 0.82 HDAC6 (0.44) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL1706932 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL1401436 0.78 AKT1 (0.39) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL5580137 0.78 AKT1 (0.39) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL5555258 0.77 HDAC6 (0.57) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL3884535 0.76 HDAC6 (0.40) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL959919 0.75 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14
SCHEMBL15734005 0.74 NFKB1 (0.44) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL4676227 0.74 HDAC6 (0.46) HDAC6HDAC1HDAC2TSHRTHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456749-B1 A SUBSTITUTED POLYVINYL ALCOHOL REAGENT PVAC MEDICAL TECH LTD (CY) 2021-07-14 EP disclosed
EP-3456749-A1 A SUBSTITUTED POLYVINYAL ALCOHOL REAGENT PVAC Medical Technologies Ltd. (CY) 2019-03-20 EP disclosed
EP-2254944-B1 COMPOSITION FOR THE FORMATION OF GELS PVAC MEDICAL TECH LTD (CY) 2018-12-19 EP disclosed
US-9585987-B2 Composition for the formation of gels PVAC MEDICAL TECHNOLOGIES LTD (CY) 2017-03-07 US disclosed
US-20110008444-A1 COMPOSITION FOR THE FORMATION OF GELS IPR-SYSTEMS SWEDEN AB (SE) 2011-01-13 US disclosed