SCHEMBL7442330

SCHEMBL7442330

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL31358286 0.79 GAA (0.50) GAAMGAMSIMGAM2CA12
SCHEMBL22556589 0.78 HMGCR (0.38) GAACYP2C19HDAC6HDAC1HDAC2
SCHEMBL17480043 0.77 HDAC6 (0.37) NFKB1NFKB2RELACA12CA1
SCHEMBL5001089 0.75 CA12 (0.55) GAAMGAMSIMGAM2NFKB1
SCHEMBL13690856 0.74 HDAC6 (0.37) NFKB1NFKB2RELACA12CA1
SCHEMBL18758783 0.73 CA12 (0.43) GAAMGAMSIMGAM2NFKB1
SCHEMBL499027 0.72 SMN1; SMN2 (0.40) GAAMGAMSIMGAM2NFKB1
SCHEMBL31358486 0.72 GAA (0.47) GAAMGAMSIMGAM2CA12
SCHEMBL24737134 0.72 NFKB1 (0.45) GAAMGAMSIMGAM2NFKB1
SCHEMBL13690848 0.72 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed