SCHEMBL7420752

SCHEMBL7420752

CC(C)(C)OC(=O)N[C@H]1Cc2ccc(Cl)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.47
PYGM P11217 4/20 0.47
EPHX2 P34913 1/20 0.46
GAA P10253 1/20 0.45
RIPK1 Q13546 2/20 0.43
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
CMA1 P23946 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL7847641 1.00 PYGL (0.47) PYGLPYGMEPHX2GAARIPK1
SCHEMBL13878889 0.86 EPHX2 (0.46) PYGLPYGMEPHX2GAANFKB1
SCHEMBL4072157 0.86 EPHX2 (0.46) PYGLPYGMEPHX2GAANFKB1
SCHEMBL13783989 0.84 GAA (0.43) PYGLPYGMEPHX2GAARIPK1
SCHEMBL1270295 0.83 RIPK1 (0.58) PYGLPYGMEPHX2GAARIPK1
SCHEMBL1270296 0.83 RIPK1 (0.58) PYGLPYGMEPHX2GAARIPK1
SCHEMBL4806148 0.83 EPHX2 (0.63) PYGLPYGMEPHX2GAANFKB1
SCHEMBL651278 0.83 EPHX2 (0.63) PYGLPYGMEPHX2GAANFKB1
SCHEMBL29900496 0.83 EPHX2 (0.63) PYGLPYGMEPHX2GAANFKB1
SCHEMBL651277 0.83 EPHX2 (0.63) PYGLPYGMEPHX2GAANFKB1

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
US-5594006-A SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
EP-0641323-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed
WO-1994021612-A1 CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-29 WO disclosed