SCHEMBL7422274

SCHEMBL7422274

COCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2cc3c(cc21)OCO3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
CASP7 P55210 1/20 0.39
KDM4D Q6B0I6 12/20 0.38
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KDM6A O15550 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
SCHEMBL4760840 0.77 GAA (0.45) PYGLGAA
SCHEMBL8889889 0.71 ALDH1A1 (0.35) PYGLKDM4EALDH1A1HPGDCASP1
SCHEMBL8891347 0.70 CCKBR (0.43)
SCHEMBL7418257 0.70 PYGL (0.52) PYGL
SCHEMBL4760849 0.69 GAA (0.47) GAA
SCHEMBL9908799 0.69 GAA (0.47) GAA
SCHEMBL7414939 0.69 SCN9A (0.48) PYGL
SCHEMBL7837553 0.68 XIAP (0.45)
SCHEMBL7421160 0.68 SCN9A (0.48)
SCHEMBL9886179 0.67 KYAT1 (0.44) PYGLGAA

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