SCHEMBL21828594

SCHEMBL21828594

CC(C)CC(N)C(=O)NC(CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.61
▸ SLC7A5 Q01650 1/20 0.52
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ PTGS2 P35354 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MME P08473 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LAP3 P28838 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ENPEP Q07075 1/20 0.42

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
SCHEMBL21828595 1.00 ACE (0.61) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL30311049 0.95 ACE (0.56) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL30288000 0.95 ACE (0.56) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL29721145 0.94 ACE (0.54) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL31357420 0.94 ACE (0.54) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL30123555 0.92 ACE (0.53) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL31720932 0.92 ACE (0.51) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL30288017 0.91 ACE (0.51) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL31589849 0.91 ACE (0.51) ACESLC7A5MAPTKDM4ETHRB
SCHEMBL31753480 0.90 ACE (0.50) ACESLC7A5MAPTKDM4ETHRB

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-2020071258-A1 PROTEIN GLYCATION SUPPRESSANT 味の素株式会社 2020-04-09 — — WO disclosed
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