SCHEMBL5720645

SCHEMBL5720645

C=CCOC(=O)[C@H](CC(=O)c1ccccc1)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
ACE P12821 2/20 0.39
KMT2A Q03164 1/20 0.38
ANPEP P15144 1/20 0.37
CPB1 P15086 1/20 0.37
CPB2 Q96IY4 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ECE1 P42892 1/20 0.35
IDE P14735 1/20 0.35

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
SCHEMBL5720638 1.00 MMP2 (0.41) MMP2MMP9ACEKMT2AANPEP
SCHEMBL9856555 0.85 MMP2 (0.50) MMP2MMP9ACEKMT2AITGB3
SCHEMBL9856540 0.85 MMP2 (0.50) MMP2MMP9ACEKMT2AITGB3
SCHEMBL5720686 0.83 ACE (0.52) MMP2MMP9ACEANPEPCPB2
SCHEMBL5720685 0.83 ACE (0.52) MMP2MMP9ACEANPEPCPB2
SCHEMBL28836164 0.72 ACE (0.48) ACEITGB3ITGA2BCASP1ECE1
SCHEMBL28836162 0.71 ITGB3 (0.50) ITGB3ITGA2BCASP1ECE1
SCHEMBL28836163 0.71 ITGB3 (0.50) ITGB3ITGA2BCASP1ECE1
SCHEMBL13750377 0.71 MMP2 (0.51) MMP2MMP9KMT2AITGB3ITGA2B
SCHEMBL287192 0.71 FOLH1 (0.50) CPB2CASP1ECE1

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
EP-1513868-B1 PROCESS FOR THE PRODUCTION OF LISINOPRIL EOS ECZACIBASI OZGUN KIMYASAL (TR) 2006-08-09 EP claimed