SCHEMBL7344678

SCHEMBL7344678

CC(C)C[C@H](CN[C@@H](C(C)C)C(O)C1CC1=O)NC(=O)OCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
CTSL P07711 5/20 0.35
CTSS P25774 1/20 0.33
PSMB5 P28074 1/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
REN P00797 3/20 0.31
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31
GUCY1B1 Q02153 1/20 0.31

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
SCHEMBL7335993 0.84 CTSK (0.41) CTSKCTSLBCHEREN
SCHEMBL7370419 0.81 CTSK (0.37) CTSKCTSLCTSSPSMB5REN
SCHEMBL7343512 0.81 CTSK (0.37) CTSKCTSLCTSSPSMB5REN
SCHEMBL9557890 0.81 CTSK (0.37) CTSKCTSLCTSSPSMB5REN
SCHEMBL7334872 0.74 CTSK (0.39) CTSKCTSLPSMB5BCHEREN
SCHEMBL7344316 0.73 CTSK (0.36) CTSKCTSLCTSSPSMB5REN
SCHEMBL7342195 0.71 CTSK (0.37) CTSKCTSLPSMB5BCHEREN
SCHEMBL7342202 0.69 CTSK (0.36) CTSKCTSLBCHEREN
SCHEMBL7344921 0.69 REN (0.39) CTSKCTSSREN
SCHEMBL8807979 0.69 CTSK (0.43) CTSKCTSLCTSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5416117-A Protease inhibitor MITSUBISHI KASEI CORPORATION (JP) 1995-05-16 US disclosed
EP-0520427-B1 Cyclopropenone derivatives MITSUBISHI CHEM IND (JP) 1994-12-14 EP disclosed
US-5328909-A Protease inhibitors MITSUBISHI KASEI CORPORATION (JP) 1994-07-12 US disclosed
EP-0520427-A1 Cyclopropenone derivatives Mitsubishi Chemical Corporation (JP) 1992-12-30 EP disclosed