SCHEMBL8366751

SCHEMBL8366751

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.56
FKBP1A P62942 5/20 0.56
CTSL P07711 1/20 0.54
CMA1 P23946 4/20 0.53
KLK5 Q9Y337 1/20 0.53
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 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
SCHEMBL7148899 0.94 ACE (0.63) ACEFKBP1ACTSLCMA1KLK5
SCHEMBL7537159 0.94 ACE (0.63) ACEFKBP1ACTSLCMA1KLK5
SCHEMBL8365046 0.93 ACE (0.54) ACEFKBP1ACTSLCMA1KLK5
SCHEMBL8366882 0.92 ACE (0.54) ACEFKBP1ACTSLCMA1KLK5
SCHEMBL8366858 0.92 ACE (0.54) ACEFKBP1ACTSLCMA1KLK5
SCHEMBL8365074 0.91 ACE (0.56) ACECTSLCMA1KLK5F2
SCHEMBL7272846 0.90 ACE (0.59) ACEFKBP1ACTSLCMA1KLK5
SCHEMBL7539511 0.90 ACE (0.59) ACEFKBP1ACTSLCMA1KLK5
SCHEMBL22962152 0.90 ACE (0.59) ACECMA1KLK5F2PRSS1
SCHEMBL7538363 0.90 ACE (0.59) ACEFKBP1ACTSLCMA1KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003057722-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO disclosed