SCHEMBL7334872

SCHEMBL7334872

CCCC[C@H](NC[C@@H](CC(C)C)NC(=O)OCC1CCCCC1)C(O)C1C(=O)C1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
CTSL P07711 5/20 0.36
BCHE P06276 1/20 0.36
REN P00797 6/20 0.35
CTSB P07858 1/20 0.35
METAP2 P50579 1/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL7342195 0.90 CTSK (0.37) CTSKCTSLBCHERENCTSB
SCHEMBL7335993 0.88 CTSK (0.41) CTSKCTSLBCHERENCTSB
SCHEMBL7342202 0.88 CTSK (0.36) CTSKCTSLBCHERENCTSB
SCHEMBL7344921 0.87 REN (0.39) CTSKREN
SCHEMBL7344724 0.85 REN (0.36) CTSKREN
SCHEMBL7343275 0.83 CTSK (0.33) CTSKCTSLREN
SCHEMBL7373064 0.83 REN (0.34) CTSKCTSLREN
SCHEMBL7344678 0.74 CTSK (0.42) CTSKCTSLBCHERENPSMB5
SCHEMBL7370419 0.71 CTSK (0.37) CTSKCTSLRENCTSBPSMB5
SCHEMBL7343512 0.71 CTSK (0.37) CTSKCTSLRENCTSBPSMB5

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