SCHEMBL8364102

SCHEMBL8364102

CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.54
CTSL P07711 1/20 0.54
FKBP1A P62942 5/20 0.53
KLK5 Q9Y337 1/20 0.53
LMNA P02545 1/20 0.52
CMA1 P23946 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTRC Q99895 1/20 0.48

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
SCHEMBL38652097 0.92 CMA1 (0.56) ACECTSLFKBP1AKLK5CMA1
SCHEMBL21409190 0.92 KLK5 (0.62) ACEKLK5LMNACMA1F2
SCHEMBL21409192 0.92 KLK5 (0.62) ACEKLK5LMNACMA1F2
SCHEMBL21409191 0.92 KLK5 (0.62) ACEKLK5LMNACMA1F2
SCHEMBL1815101 0.91 ACE (0.55) ACECTSLFKBP1AKLK5CMA1
SCHEMBL7537159 0.91 ACE (0.63) ACECTSLFKBP1AKLK5CMA1
SCHEMBL10403794 0.91 ACE (0.56) ACECTSLFKBP1AKLK5CMA1
SCHEMBL7148899 0.91 ACE (0.63) ACECTSLFKBP1AKLK5CMA1
SCHEMBL10403621 0.90 KLK7 (0.53) ACECTSLFKBP1AKLK5CMA1
SCHEMBL38652049 0.90 ACE (0.54) ACECTSLFKBP1AKLK5CMA1

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