SCHEMBL7342202

SCHEMBL7342202

CCCCC=CC1C(=O)C1[C@H](O)[C@H](CCCC)NC[C@@H](CC(C)C)NC(=O)OCC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.33
CTSB P07858 1/20 0.33
BCHE P06276 1/20 0.33
REN P00797 5/20 0.32
LPAR3 Q9UBY5 1/20 0.30

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 0.88 CTSK (0.39) CTSKCTSLCTSBBCHEREN
SCHEMBL7342195 0.85 CTSK (0.37) CTSKCTSLCTSBBCHEREN
SCHEMBL7335993 0.83 CTSK (0.41) CTSKCTSLCTSBBCHEREN
SCHEMBL7335464 0.82 PSMB1 (0.46) CTSKCTSLCTSBREN
SCHEMBL9220584 0.82 PSMB1 (0.46) CTSKCTSLCTSBREN
SCHEMBL7344921 0.82 REN (0.39) CTSKREN
SCHEMBL7344724 0.80 REN (0.36) CTSKREN
SCHEMBL7343275 0.78 CTSK (0.33) CTSKCTSLREN
SCHEMBL7373064 0.78 REN (0.34) CTSKCTSLREN
SCHEMBL7342193 0.70 REN (0.44) CTSKCTSLREN

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