SCHEMBL11030896

SCHEMBL11030896

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C1CC(O)C(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.59
IDO1 P14902 1/20 0.53
CTSS P25774 2/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
MAPK1 P28482 1/20 0.52
CCKAR P32238 1/20 0.52
CCKBR P32239 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
APP P05067 1/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 2/20 0.51
MEN1 O00255 1/20 0.49
EPHX2 P34913 1/20 0.49
PPARA Q07869 2/20 0.49
AKT1 P31749 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL27616185 1.00 ACE (0.59) ACEIDO1CTSSCTSLCTSB
SCHEMBL8935942 0.88 PPARA (0.67) ACEIDO1CTSSCTSLCCKAR
SCHEMBL10977853 0.86 CTSL (0.57) IDO1CTSSCTSLCTSKITGB3
SCHEMBL27909397 0.84 ACE (0.79) ACECTSSCTSLCTSBCTSK
SCHEMBL21473784 0.84 ACE (0.79) ACECTSSCTSLCTSBCTSK
SCHEMBL67020 0.84 ACE (0.79) ACECTSSCTSLCTSBCTSK
SCHEMBL66220 0.84 ACE (0.79) ACECTSSCTSLCTSBCTSK
SCHEMBL606309 0.84 ACE (0.79) ACECTSSCTSLCTSBCTSK
SCHEMBL795685 0.84 ACE (0.79) ACECTSSCTSLCTSBCTSK
Water SCHEMBL15362013 0.83 ACE (0.77) ACECTSSCTSLCTSBCTSK

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
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 US disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 EP disclosed