SCHEMBL8606993

SCHEMBL8606993

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL3984281 0.82 HDAC6 (0.39) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL2435231 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL7747137 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL1696194 0.77 HDAC6 (0.35) HDAC6HDAC1HDAC2
SCHEMBL27505816 0.77 MGAM (0.38) HDAC6HDAC1HDAC2CA14
SCHEMBL628419 0.76 TAAR1 (0.42)
SCHEMBL8697011 0.75 CA14 (0.37) HDAC6HDAC1HDAC2CA14
SCHEMBL24271052 0.74 HDAC6 (0.33) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL2246456 0.74 HDAC6 (0.41) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL8806268 0.74 HDAC6 (0.41) 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
EP-0863769-A1 GLYCOCONJUGATES AS VIRUS CELL ADHESION INHIBITORS Syntesome Gesellschaft Fur Med. Biochemie M.B.H. (DE) 1998-09-16 EP disclosed
EP-0863769-A2 GLYCOCONJUGATES AS VIRUS CELL ADHESION INHIBITORS Syntesome Gesellschaft Fur Med. Biochemie M.B.H. (DE) 1998-09-16 EP disclosed
WO-1998014215-A2 GLYCOCONJUGATES AS VIRUS CELL ADHESION INHIBITORS SYNTESOME GESELLSCHAFT FÜR MED. BIOCHEMIE M.B.H. (DE) 1998-04-09 WO disclosed