SCHEMBL6512340

SCHEMBL6512340

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
DGAT1 O75907 1/20 0.36
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
AKT1 P31749 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
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
SCHEMBL28652589 0.95 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL29028874 0.86 HDAC6 (0.33) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL7024160 0.79 HDAC6 (0.41) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL9873641 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL20287503 0.77 DGAT1 (0.39) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL2703822 0.77 HDAC6 (0.33) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL28783743 0.75 HDAC6 (0.35) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL3361720 0.75 HDAC6 (0.35) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL2552626 0.75 HDAC6 (0.35) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL16998486 0.75 CTSD (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481268-A4 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC (US) 2005-06-29 EP disclosed
EP-1481268-A2 NANOFILM AND MEMBRANE COMPOSITIONS Covalent Partners, LLC (US) 2004-12-01 EP disclosed
WO-2003067286-A2 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS, LLC (US) 2003-08-14 WO disclosed