SCHEMBL7427520

SCHEMBL7427520

COCCN1C(=O)[C@H](NOCc2ccccc2)Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
XIAP P98170 3/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ACE P12821 3/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1S Q13698 1/20 0.37
MME P08473 1/20 0.37

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
SCHEMBL7420944 0.79 PYGL (0.49) PYGLXIAPALDH1A1GAACACNA1S
SCHEMBL7427516 0.78 SCN9A (0.39) XIAPACEMME
Acetic Acid SCHEMBL21402726 0.77 GPBAR1 (0.42) MAPTALDH1A1ACEGPBAR1GAA
SCHEMBL7422979 0.76 PYGL (0.47) PYGLXIAPACE
SCHEMBL5628897 0.74 AADAT (0.52) PYGLALDH1A1GAACACNA1S
SCHEMBL26996407 0.74 MAPT (0.40) XIAPMAPTALDH1A1GAAMEN1
SCHEMBL7414939 0.73 SCN9A (0.48) PYGLXIAPACEMME
SCHEMBL7420278 0.72 CA1 (0.46) PYGLALDH1A1ACEGAA
SCHEMBL7416731 0.72 PYGL (0.44) PYGLXIAPACEMME
SCHEMBL22076255 0.71 CTSL (0.55) MAPTALDH1A1GPBAR1GAA

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