SCHEMBL9623845

SCHEMBL9623845

CC(C)C(=O)NC(CSC(=O)C(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.42
▸ FOLH1 Q04609 2/20 0.36
▸ NAALAD2 Q9Y3Q0 2/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL8580626 1.00 ACE (0.42) ACEFOLH1NAALAD2ALDH1A1
SCHEMBL12308077 0.85 ALDH1A1 (0.53) ACEFOLH1NAALAD2ALDH1A1
SCHEMBL15432520 0.82 ACE (0.46) ACEFOLH1NAALAD2ALDH1A1
SCHEMBL8416407 0.82 ACE (0.46) ACEFOLH1NAALAD2ALDH1A1
SCHEMBL8419719 0.82 ACE (0.46) ACEFOLH1NAALAD2ALDH1A1
SCHEMBL8416400 0.82 ACE (0.46) ACEFOLH1NAALAD2ALDH1A1
SCHEMBL20287636 0.81 ACE (0.44) ACEALDH1A1
SCHEMBL12989759 0.79 ACE (0.48) ACE
SCHEMBL20122457 0.78 ACE (0.46) ACEFOLH1
SCHEMBL5967595 0.78 ZDHHC7 (0.32) —

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-0472634-A1 PROCESS FOR THE N-MONOACYLATION OF CYSTEINE AKTIEBOLAGET ASTRA (SE) 1992-03-04 — — EP disclosed
WO-1990014335-A1 PROCESS FOR THE N-MONOACYLATION OF CYSTEINE AKTIEBOLAGET ASTRA (SE) 1990-11-29 — — WO disclosed
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