SCHEMBL9438775

SCHEMBL9438775

CCOC(=O)C(Cc1ccccc1)N[C@@H](C)C(=O)N1C2COCC2C[C@H]1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 14/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 2/20 0.66
USP2 O75604 1/20 0.66
CYP3A4 P08684 1/20 0.66
ALOX15 P16050 1/20 0.66
ABCB11 O95342 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PDE3A Q14432 1/20 0.46

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
SCHEMBL9438765 1.00 ACE (0.66) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9438771 1.00 ACE (0.66) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9439356 0.92 ACE (0.79) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9439369 0.92 ACE (0.79) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9439364 0.92 ACE (0.79) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9438784 0.89 ACE (0.54) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9438798 0.89 ACE (0.54) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9438791 0.89 ACE (0.54) ACEMEN1KMT2ALMNAUSP2
SCHEMBL683131 0.88 ACE (0.84) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9438986 0.88 ACE (0.84) ACEMEN1KMT2ALMNAUSP2

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-5348944-A Hypotensive agents SCHERING CORPORATION (US) 1994-09-20 US disclosed
EP-0050800-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-06-18 EP disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 EP disclosed