SCHEMBL7338532

SCHEMBL7338532

CCCC[C@H](NC[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(O)C1CC1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
CTSL P07711 6/20 0.46
CTSS P25774 5/20 0.46
CTSK P43235 12/20 0.45
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
CAPN1 P07384 1/20 0.43
SYK P43405 1/20 0.43

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
SCHEMBL7344658 0.91 PSMB1 (0.52) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL7345357 0.89 PSMB1 (0.51) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL7334968 0.88 PSMB1 (0.45) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL8395854 0.86 CTSL (0.52) CTSLCTSSCTSKCASP1CASP3
SCHEMBL7335464 0.82 PSMB1 (0.46) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL9220584 0.82 PSMB1 (0.46) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL7347438 0.82 PSMB1 (0.43) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL7334429 0.77 PSMB1 (0.50) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL7305711 0.75 CTSL (0.52) PSMB1PSMB5PSMB2CTSLCTSS
SCHEMBL25949248 0.75 CTSK (0.65) PSMB1PSMB5PSMB2CTSLCTSS

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