SCHEMBL7301724

SCHEMBL7301724

CC(C)CC(NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.47
PSMB1 P20618 1/20 0.47
PSMB2 P49721 1/20 0.47
REN P00797 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP3A7 P24462 1/20 0.42
CYP3A43 Q9HB55 1/20 0.42
KISS1R Q969F8 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TMPRSS11D O60235 1/20 0.41
CTRL P40313 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL7301741 1.00 PSMB5 (0.47) PSMB5PSMB1PSMB2RENCYP3A4
SCHEMBL7301731 1.00 PSMB5 (0.47) PSMB5PSMB1PSMB2RENCYP3A4
SCHEMBL7312126 0.95 CTSG (0.46) PSMB5PSMB1PSMB2RENCYP3A4
SCHEMBL7312135 0.95 CTSG (0.46) PSMB5PSMB1PSMB2RENCYP3A4
SCHEMBL7300785 0.91 REN (0.51) PSMB5PSMB1PSMB2REN
SCHEMBL7300779 0.91 REN (0.51) PSMB5PSMB1PSMB2REN
SCHEMBL7346557 0.91 CTSG (0.48) CTSLCTSB
SCHEMBL7346551 0.91 CTSG (0.48) CTSLCTSB
SCHEMBL7303784 0.87 ALDH1A1 (0.49) PSMB5PSMB1PSMB2REN
SCHEMBL7303430 0.87 PSMB5 (0.45) PSMB5PSMB1PSMB2REN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed
EP-0525420-A1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors Mitsubishi Chemical Corporation (JP) 1993-02-03 EP disclosed