SCHEMBL7344674

SCHEMBL7344674

CC(C)C[C@H](NC(=O)OCC1CCCCC1)C(=O)N[C@@H](C(C)C)C(O)c1cc1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSL P07711 5/20 0.43
CTSS P25774 1/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
REN P00797 2/20 0.39

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
SCHEMBL7344682 1.00 CTSK (0.48) CTSKCTSLCTSSPSEN1PSEN2
SCHEMBL7335989 0.84 CTSK (0.47) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL7335996 0.84 CTSK (0.47) CTSKCTSLPSEN1PSEN2APH1B
SCHEMBL7370417 0.82 CTSK (0.45) CTSKCTSLCTSSPSEN1PSEN2
SCHEMBL7370421 0.82 CTSK (0.45) CTSKCTSLCTSSPSEN1PSEN2
SCHEMBL9227916 0.82 CTSK (0.45) CTSKCTSLCTSSPSEN1PSEN2
SCHEMBL7343508 0.82 CTSK (0.45) CTSKCTSLCTSSPSEN1PSEN2
SCHEMBL7344318 0.75 CTSK (0.43) CTSKCTSLCTSSPSEN1PSEN2
SCHEMBL7344306 0.75 CTSK (0.43) CTSKCTSLCTSSPSEN1PSEN2
SCHEMBL8823957 0.74 CTSK (0.55) CTSKCTSLCTSSPSEN1PSEN2

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