SCHEMBL5332357

SCHEMBL5332357

CSCC(NC(=O)C(CO)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.46
TGFBR1 P36897 3/20 0.39
ACE P12821 2/20 0.39
FOLH1 Q04609 4/20 0.38
NAALAD2 Q9Y3Q0 3/20 0.38
RIMKLA Q8IXN7 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL5332134 0.84 LMNA (0.50) FOLH1LMNA
SCHEMBL5332031 0.84 MME (0.43) MMEACE
SCHEMBL5329907 0.81 ACE (0.42) MMEACE
SCHEMBL15432520 0.80 ACE (0.46) ACEFOLH1NAALAD2RIMKLALMNA
SCHEMBL5331000 0.79 MME (0.39) MMEACE
SCHEMBL4954090 0.78 ACE (0.44) ACEFOLH1NAALAD2RIMKLALMNA
SCHEMBL4954815 0.78 ACE (0.44) ACEFOLH1NAALAD2RIMKLALMNA
SCHEMBL4952262 0.76 FOLH1 (0.41) MMETGFBR1FOLH1NAALAD2RIMKLA
SCHEMBL13010848 0.76 ACE (0.42) ACEFOLH1NAALAD2RIMKLALMNA
SCHEMBL13010913 0.76 ACE (0.42) ACEFOLH1NAALAD2RIMKLALMNA

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-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed