SCHEMBL28097176

SCHEMBL28097176

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
DGAT1 O75907 1/20 0.36
CA14 Q9ULX7 1/20 0.33
MT-CO2 P00403 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL1706932 0.81 HDAC6 (0.38) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL1771686 0.81 HDAC6 (0.38) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL432112 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL3716921 0.78 HDAC6 (0.39) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL2028779 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL17844334 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL16375890 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
Hydrochloric Acid SCHEMBL5679482 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL10023648 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL28394 0.76 HDAC6 (0.38) HDAC6HDAC1HDAC2DGAT1CA14

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
CN-105919987-A N-acyloxysulfonamide And N-hydroxy-n-acylsulfonamide Derivatives And Use Thereof 约翰斯霍普金斯大学 2016-09-07 CN disclosed