Sugi Predict

Sugi Predict / Compounds / SCHEMBL8534869

SCHEMBL8534869

SCHEMBL8534869

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 6/20 0.58
▸ HTT P42858 1/20 0.52
▸ REN P00797 2/20 0.47
▸ FOLH1 Q04609 2/20 0.46
▸ PTGER4 P35408 3/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ CASP7 P55210 1/20 0.45

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
SCHEMBL8539759 0.94 CTSD (0.57) CTSDREN
SCHEMBL7268430 0.86 HTT (0.52) CTSDHTTFOLH1CASP3CASP7
SCHEMBL7270150 0.85 HTT (0.51) CTSDHTTFOLH1
SCHEMBL8536393 0.84 CTSD (0.52) CTSDREN
SCHEMBL7279553 0.83 HTT (0.48) CTSDHTTFOLH1
SCHEMBL6443882 0.82 HTT (0.56) HTTFOLH1
SCHEMBL6443877 0.82 HTT (0.56) HTTFOLH1
SCHEMBL6447440 0.81 HTT (0.57) HTTFOLH1
SCHEMBL6447441 0.81 HTT (0.57) HTTFOLH1
SCHEMBL6449641 0.81 CTSD (0.76) CTSDRENCASP3

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-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
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 — — US disclosed