SCHEMBL8539759

SCHEMBL8539759

COC(=O)CCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NC(Cc1ccccc1)C(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCNC(=O)OCc1ccccc1)C(C)C)C(C)C)C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 8/20 0.57
REN P00797 2/20 0.51
PSMB11 A5LHX3 4/20 0.46
PSMA7 O14818 4/20 0.46
PSMB1 P20618 4/20 0.46
PSMA1 P25786 4/20 0.46
PSMA2 P25787 4/20 0.46
PSMA3 P25788 4/20 0.46
PSMA4 P25789 4/20 0.46
PSMB8 P28062 4/20 0.46
PSMB9 P28065 4/20 0.46
PSMA5 P28066 4/20 0.46
PSMB4 P28070 4/20 0.46
PSMB6 P28072 4/20 0.46
PSMB5 P28074 4/20 0.46
PSMB10 P40306 4/20 0.46
PSMB3 P49720 4/20 0.46
PSMB2 P49721 4/20 0.46
PSMA6 P60900 4/20 0.46
PSMA8 Q8TAA3 4/20 0.46

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
SCHEMBL8534869 0.94 CTSD (0.58) CTSDREN
SCHEMBL7270150 0.86 HTT (0.51) CTSDPSMB5
SCHEMBL7268430 0.85 HTT (0.52) CTSD
SCHEMBL7279553 0.82 HTT (0.48) CTSD
SCHEMBL7268478 0.82 CTSD (0.54) CTSD
SCHEMBL8539753 0.81 CTSD (0.39) CTSDREN
SCHEMBL6452185 0.81 CTSB (0.51) CTSDREN
SCHEMBL6443882 0.81 HTT (0.56)
SCHEMBL6443877 0.81 HTT (0.56)
SCHEMBL6447441 0.80 HTT (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed