SCHEMBL7420944

SCHEMBL7420944

COCCN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.49
CACNA1S Q13698 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
XIAP P98170 2/20 0.36

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
SCHEMBL7427618 0.84 AADAT (0.40) PYGLKDM4EALDH1A1
SCHEMBL7425491 0.83 KDM4E (0.36) PYGLKDM4EALDH1A1GAA
SCHEMBL7415758 0.82 ACE (0.36) PYGLKDM4E
SCHEMBL7427520 0.79 PYGL (0.49) PYGLCACNA1SALDH1A1GAAXIAP
SCHEMBL8889889 0.77 ALDH1A1 (0.35) PYGLKDM4EALDH1A1GAA
SCHEMBL5628897 0.75 AADAT (0.52) PYGLCACNA1SKDM4EALDH1A1GAA
SCHEMBL8890894 0.74 ALDH1A1 (0.36) PYGLKDM4EALDH1A1GAA
SCHEMBL8891676 0.72 ALDH1A1 (0.37) KDM4EALDH1A1GAA
SCHEMBL4071608 0.69 AADAT (0.48) PYGLCACNA1SKDM4EALDH1A1GAA
SCHEMBL1270037 0.69 SCN9A (0.52) XIAP

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