SCHEMBL7303903

SCHEMBL7303903

CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP8 P22894 4/20 0.46
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44
PSMB2 P49721 2/20 0.44
ELANE P08246 1/20 0.44
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
LCK P06239 1/20 0.41
FCER2 P06734 1/20 0.40
REN P00797 2/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40

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
SCHEMBL7342412 0.91 ALDH1A1 (0.49) CASP1ALDH1A1POLBLCKFCER2
SCHEMBL7312840 0.88 CTSL (0.51) CASP1
SCHEMBL7300785 0.88 REN (0.51) PSMB1PSMB5PSMB2RENACE
SCHEMBL7300779 0.88 REN (0.51) PSMB1PSMB5PSMB2RENACE
SCHEMBL7307336 0.88 PSMB5 (0.47) MMP2MMP9MMP8CASP1CASP3
SCHEMBL7301731 0.86 PSMB5 (0.47) PSMB1PSMB5PSMB2REN
SCHEMBL7301741 0.86 PSMB5 (0.47) PSMB1PSMB5PSMB2REN
SCHEMBL7301724 0.86 PSMB5 (0.47) PSMB1PSMB5PSMB2REN
SCHEMBL7303784 0.86 ALDH1A1 (0.49) CASP1CASP3CASP6CASP8PSMB1
SCHEMBL7303797 0.86 ALDH1A1 (0.49) CASP1CASP3CASP6CASP8PSMB1

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
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-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US 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