SCHEMBL7336544

SCHEMBL7336544

CC(C)C[C@H](CNC(C)(C)[C@H](O)C1C(=O)C1c1ccccc1)NC(=O)OCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.38
CTSS P25774 5/20 0.38
REN P00797 6/20 0.36
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
CTSL P07711 3/20 0.35
CTSB P07858 1/20 0.35
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 0.84 CTSK (0.37) CTSKCTSSRENCTSLCTSB
SCHEMBL9557890 0.84 CTSK (0.37) CTSKCTSSRENCTSLCTSB
SCHEMBL7370419 0.84 CTSK (0.37) CTSKCTSSRENCTSLCTSB
SCHEMBL7337169 0.84 APP (0.42) CTSKCTSSCTSLCTSB
SCHEMBL7338842 0.83 CTSK (0.39) CTSKCTSSRENBCL9CTNNB1
SCHEMBL7344921 0.80 REN (0.39) CTSKCTSSREN
SCHEMBL7344316 0.79 CTSK (0.36) CTSKCTSSRENCTSLCTSB
SCHEMBL7344724 0.71 REN (0.36) CTSKREN
SCHEMBL7337274 0.68 PSMB1 (0.49) CTSKCTSSCTSLCTSB
SCHEMBL7336539 0.67 CTSK (0.44) CTSKCTSSRENCTSL

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