SCHEMBL7342195

SCHEMBL7342195

CCCC[C@H](NC[C@@H](CC(C)C)NC(=O)OCC1CCCCC1)C(O)C1C(=O)C1CCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.37
BCHE P06276 1/20 0.36
REN P00797 9/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 1/20 0.33
METAP2 P50579 1/20 0.31
PSMB5 P28074 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
SCHEMBL7334872 0.90 CTSK (0.39) CTSKBCHERENCTSLCTSB
SCHEMBL7335993 0.85 CTSK (0.41) CTSKBCHERENCTSLCTSB
SCHEMBL7342202 0.85 CTSK (0.36) CTSKBCHERENCTSLCTSB
SCHEMBL7344921 0.84 REN (0.39) CTSKREN
SCHEMBL7344724 0.82 REN (0.36) CTSKREN
SCHEMBL7343275 0.80 CTSK (0.33) CTSKRENCTSL
SCHEMBL7373064 0.80 REN (0.34) CTSKRENCTSL
SCHEMBL7344678 0.71 CTSK (0.42) CTSKBCHERENCTSLPSMB5
SCHEMBL9146252 0.70 CTSK (0.44) CTSK
SCHEMBL7370419 0.69 CTSK (0.37) CTSKRENCTSLCTSBPSMB5

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