SCHEMBL5794084

SCHEMBL5794084

CCOC(=O)[C@H](CCc1ccccc1)N1C2CCCCC2C[C@@]1(C(=O)O)C(=O)C(C)N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
ABCB11 O95342 1/20 0.39
REN P00797 2/20 0.38

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
SCHEMBL9520888 1.00 ACE (0.48) ACEMEN1KMT2ALMNAUSP2
SCHEMBL5806086 0.92 ACE (0.45) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9731804 0.92 ACE (0.45) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9733291 0.92 ACE (0.45) ACEMEN1KMT2ALMNAUSP2
SCHEMBL6508290 0.92 ACE (0.45) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9731888 0.91 ACE (0.44) ACEMEN1KMT2ALMNAUSP2
SCHEMBL10460483 0.84 ACE (0.40) ACEMEN1KMT2ALMNAUSP2
SCHEMBL9733499 0.84 ACE (0.40) ACEMEN1KMT2ALMNAUSP2
Hydrochloric Acid SCHEMBL10741835 0.83 ACE (0.40) ACEMEN1KMT2ALMNAUSP2
Hydrochloric Acid SCHEMBL9732651 0.83 ACE (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006014916-A2 PREPARATION OF TRANDOLAPRIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO claimed
EP-1663973-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2006014916-A2 PREPARATION OF TRANDOLAPRIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO disclosed
WO-2005026123-A1 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-24 WO disclosed