SCHEMBL7344306

SCHEMBL7344306

CC(=O)O[C@H](c1c(-c2ccccc2)c1=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1CCCCC1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.43
CTSS P25774 7/20 0.43
REN P00797 2/20 0.41
CTSL P07711 6/20 0.40
CTSB P07858 1/20 0.40
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38

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
SCHEMBL7344318 1.00 CTSK (0.43) CTSKCTSSRENCTSLCTSB
SCHEMBL7370421 0.89 CTSK (0.45) CTSKCTSSRENCTSLPSEN1
SCHEMBL7370417 0.89 CTSK (0.45) CTSKCTSSRENCTSLPSEN1
SCHEMBL7343508 0.89 CTSK (0.45) CTSKCTSSRENCTSLPSEN1
SCHEMBL9227916 0.89 CTSK (0.45) CTSKCTSSRENCTSLPSEN1
SCHEMBL7336539 0.80 CTSK (0.44) CTSKCTSSRENCTSL
SCHEMBL7344914 0.79 REN (0.51) CTSKCTSSRENCTSLPSEN1
SCHEMBL7344926 0.79 REN (0.51) CTSKCTSSRENCTSLPSEN1
SCHEMBL7338846 0.75 CTSK (0.47) CTSKCTSSRENCTSLCTSB
SCHEMBL7338834 0.75 CTSK (0.47) CTSKCTSSRENCTSLCTSB

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