SCHEMBL9634202

SCHEMBL9634202

COC(=O)[C@H](CO)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.36
CA12 O43570 2/20 0.35
DGAT1 O75907 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA7 P43166 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL9634197 1.00 CA14 (0.36) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL13389472 0.84 AAK1 (0.38) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL3301368 0.84 AAK1 (0.38) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL6276166 0.84 CA14 (0.34) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL28383245 0.83 TDP1 (0.38) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL20753403 0.83 TDP1 (0.38) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL2720839 0.83 CA14 (0.31) CA14CA12CA1CA2
SCHEMBL2720841 0.83 CA14 (0.31) CA14CA12CA1CA2
SCHEMBL23805206 0.83 CA14 (0.34) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL15562451 0.83 CA14 (0.36) CA14CA12DGAT1HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485517-A1 SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY YALE UNIVERSITY (US) 1992-05-20 EP disclosed
WO-1991002739-A1 SYNTHESIS OF GLYCOSIDES HAVING PREDETERMINED STEREOCHEMISTRY YALE UNIVERSITY (US) 1991-03-07 WO disclosed