SCHEMBL7370419

SCHEMBL7370419

CC(C)CC(CNC(C(C)C)C(O)C1C(=O)C1c1ccccc1)NC(=O)OCC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.37
CTSS P25774 4/20 0.37
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
CTSL P07711 3/20 0.34
REN P00797 7/20 0.34
CTSB P07858 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ANPEP P15144 2/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34

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
SCHEMBL7343512 1.00 CTSK (0.37) CTSKCTSSPSMB1PSMB5PSMB2
SCHEMBL9557890 1.00 CTSK (0.37) CTSKCTSSPSMB1PSMB5PSMB2
SCHEMBL7344316 0.89 CTSK (0.36) CTSKCTSSPSMB1PSMB5PSMB2
SCHEMBL7344921 0.86 REN (0.39) CTSKCTSSREN
SCHEMBL7337274 0.85 PSMB1 (0.49) CTSKCTSSPSMB1PSMB5PSMB2
SCHEMBL7336544 0.84 CTSK (0.38) CTSKCTSSCTSLRENCTSB
SCHEMBL7344678 0.81 CTSK (0.42) CTSKCTSSPSMB5CTSLREN
SCHEMBL7338842 0.78 CTSK (0.39) CTSKCTSSCTSLRENCTSB
SCHEMBL7344724 0.76 REN (0.36) CTSKREN
SCHEMBL7343275 0.72 CTSK (0.33) CTSKCTSSCTSLREN

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