SCHEMBL4451287

SCHEMBL4451287

CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.39
MME P08473 4/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9077236 1.00 ACE (0.39) ACEMMECPA1ACE2ALDH1A1
SCHEMBL14818941 0.83 ACE (0.43) ACEMMECPA1ACE2ALDH1A1
SCHEMBL9456906 0.81 RNPEP (0.40) CPA1ALDH1A1MAPTMEN1LMNA
SCHEMBL14731806 0.80 MMP1 (0.39)
SCHEMBL8997346 0.76 MMP2 (0.56) ACEMMECPA1ACE2
SCHEMBL14217454 0.75 PLAU (0.30)
Alanine SCHEMBL7102872 0.75 SLC7A5 (0.44) CPA1
SCHEMBL30060589 0.73 ALDH1A1 (0.39) ACEMMECPA1ACE2ALDH1A1
SCHEMBL30534363 0.73 ACE (0.36) ACEMMECPA1ACE2ALDH1A1
SCHEMBL7403829 0.72 MMP1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625757-B2 Reagent for immature leukocyte analysis and reagent kit SYSMEX CORPORATION (JP) 2009-12-01 US disclosed
US-20070178597-A1 Reagent for immature leukocyte analysis and reagent kit SYSMEX CORPORATION (JP) 2007-08-02 US disclosed
EP-1813942-A1 Reagent for immature leukocyte analysis and reagent kit Sysmex Corporation (JP) 2007-08-01 EP disclosed