SCHEMBL29538289

SCHEMBL29538289

CC[C@](C)(N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 8/20 0.53
▸ NAALAD2 Q9Y3Q0 4/20 0.53
▸ RIMKLA Q8IXN7 1/20 0.53
▸ GGH Q92820 1/20 0.42
▸ CA2 P00918 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ GNPAT O15228 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL28428784 0.87 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGHCA2
SCHEMBL28428786 0.87 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGHCA2
SCHEMBL29538498 0.85 FOLH1 (0.58) FOLH1NAALAD2RIMKLAGGHCA2
SCHEMBL8431826 0.83 NOD1 (0.49) FOLH1NAALAD2RIMKLA
Hydrochloric Acid SCHEMBL27396604 0.82 NOD1 (0.48) FOLH1NAALAD2RIMKLA
SCHEMBL2552007 0.81 FOLH1 (0.62) FOLH1NAALAD2RIMKLAGGH
SCHEMBL2552010 0.81 FOLH1 (0.62) FOLH1NAALAD2RIMKLAGGH
SCHEMBL5494582 0.79 FOLH1 (0.43) FOLH1NAALAD2RIMKLAGGHMEN1
SCHEMBL21911518 0.77 FOLH1 (0.56) FOLH1NAALAD2RIMKLAGGHCYP1A2
SCHEMBL30573309 0.75 FOLH1 (0.47) FOLH1NAALAD2RIMKLAGNPAT

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
CN-109477094-B Peptide compounds 武田药品工业株式会社 2022-04-26 — — CN disclosed
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