SCHEMBL7408240

SCHEMBL7408240

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CN(CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.61
CTSE P14091 1/20 0.61
PGC P20142 1/20 0.61
REN P00797 13/20 0.54
KLK5 Q9Y337 3/20 0.52
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51

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
SCHEMBL6449190 1.00 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL6449191 1.00 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL6443876 0.92 CTSD (0.57) CTSDCTSEPGCRENKLK5
SCHEMBL6443872 0.92 CTSD (0.57) CTSDCTSEPGCRENKLK5
SCHEMBL6445403 0.92 CTSD (0.57) CTSDCTSEPGCRENKLK5
SCHEMBL6442709 0.90 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6712901 0.90 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6444542 0.90 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6442715 0.90 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6446113 0.86 REN (0.53) CTSDCTSEPGCREN

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
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed