SCHEMBL7364608

SCHEMBL7364608

COC(=O)CCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.51
REN P00797 4/20 0.51
ELANE P08246 2/20 0.49
KDM4E B2RXH2 1/20 0.49
F2 P00734 1/20 0.49
LMNA P02545 1/20 0.49
LTA4H P09960 1/20 0.49
MAPT P10636 1/20 0.49
PEPD P12955 1/20 0.49
ALOX15 P16050 1/20 0.49
PTGS1 P23219 1/20 0.49
HTR2A P28223 1/20 0.49
PTGS2 P35354 1/20 0.49
HRH1 P35367 1/20 0.49
THPO P40225 1/20 0.49
PMP22 Q01453 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
RAB9A P51151 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
SCHEMBL7312277 0.89 REN (0.43) ACERENELANEKDM4EF2
SCHEMBL7362827 0.85 CMA1 (0.45) ELANEPEPD
SCHEMBL31491150 0.83 ACE (0.51) ACERENELANEKDM4EF2
SCHEMBL10800374 0.83 ACE (0.60) ACERENELANEKDM4EF2
SCHEMBL29790196 0.83 REN (0.55) ACERENELANEKDM4EF2
SCHEMBL12598148 0.82 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL242197 0.82 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL239406 0.82 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL12567110 0.82 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL239407 0.82 ACE (0.52) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414132-A Peptide intermediates ZENECA INC. (US) 1995-05-09 US disclosed
US-5194588-A Inhibitors of human leukocyte elastase, di-, tri- and tetra-peptides ICI AMERICAS INC. (US) 1993-03-16 US disclosed
EP-0189305-B1 PEPTIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-07-29 EP disclosed
US-5055450-A Di-, tri- and tetrapeptides as inhibitors of human leukocyte elastase ICI AMERICAS INC. (US) 1991-10-08 US disclosed
US-4910190-A Containing a nitrogen containing heterocycle ring structure ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0189305-A2 Peptide derivatives ICI AMERICAS INC. (US) 1986-07-30 EP disclosed