SCHEMBL7433759

SCHEMBL7433759

COC(=O)CC[C@H](NC(=O)C(C)CSC(C)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.43
MME P08473 2/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.38
FOLH1 Q04609 3/20 0.36
SLC1A1 P43005 1/20 0.36
RIMKLA Q8IXN7 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
SCHEMBL7433763 1.00 ACE (0.43) ACEMMENAALAD2FOLH1SLC1A1
SCHEMBL9069245 0.87 NAALAD2 (0.51) ACEMMENAALAD2FOLH1RIMKLA
SCHEMBL7438876 0.86 ACE (0.44) ACEMME
SCHEMBL7438882 0.86 ACE (0.44) ACEMME
SCHEMBL11272524 0.84 ACE (0.43) ACEMMENAALAD2FOLH1
SCHEMBL9068558 0.80 LMNA (0.45) ACEMMEFOLH1
SCHEMBL9069230 0.79 ACE (0.49) ACEMME
SCHEMBL9069293 0.78 ALDH1A1 (0.56) ACEMMENAALAD2FOLH1
SCHEMBL14081153 0.76 NOD1 (0.53) ACEMMENAALAD2FOLH1SLC1A1
SCHEMBL4577285 0.75 MAPT (0.52) NAALAD2FOLH1SLC1A1RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed