SCHEMBL14397274

SCHEMBL14397274

CCNC(CC(=O)O)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
ALDH1A1 P00352 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ENPEP Q07075 5/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
ADAMTS4 O75173 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17773007 0.83 ADAMTS4 (0.39) SLC22A6CACNA2D1CACNB3CACNA1CPGR
SCHEMBL10065636 0.81 MME (0.44) MMEACECPA1ACE2ALDH1A1
SCHEMBL13851758 0.81 MME (0.44) MMEACECPA1ACE2ALDH1A1
SCHEMBL13851596 0.79 ALDH1A1 (0.40) MMEACECPA1ACE2ALDH1A1
SCHEMBL6374915 0.76 ANPEP (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL3549858 0.75 ALDH1A1 (0.37) MMEACECPA1ACE2ALDH1A1
SCHEMBL6505335 0.73
SCHEMBL28097906 0.73 LMNA (0.37) ADRA1ATDP1
SCHEMBL10282635 0.73 LMNA (0.37) ADRA1ATDP1
SCHEMBL14369102 0.72 MME (0.42) MMEACECPA1ACE2ALDH1A1

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
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 WO disclosed