SCHEMBL9299514

SCHEMBL9299514

CC(C)(C)OC(=O)OC(=O)CN.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ELANE P08246 1/20 0.32
DGAT1 O75907 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL848847 0.98 HDAC6 (0.34) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL28278850 0.81 TDP1 (0.36) HDAC6HDAC1HDAC2DGAT1CA12
SCHEMBL1827760 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL27804594 0.80 HDAC6 (0.37) HDAC6HDAC1HDAC2
Ethylenediamine SCHEMBL28140303 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL28061441 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2ELANEDGAT1
SCHEMBL29004075 0.79 RECQL (0.36) DGAT1CA12CA2CA14
SCHEMBL44143 0.79
SCHEMBL6116105 0.79
SCHEMBL25362121 0.78 GLRA1 (0.37)

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
US-5374746-A L-talopyranoside derivatives and process for the preparation of same DONG-A PHARMACEUTICAL CO., LTD. (KR) 1994-12-20 US disclosed