SCHEMBL28428784

SCHEMBL28428784

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

nearest known ligand 0.53

Predicted protein targets (top 6)

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

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
SCHEMBL28428786 1.00 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGHCA2
SCHEMBL29538289 0.87 FOLH1 (0.53) FOLH1NAALAD2RIMKLAGGHCA2
SCHEMBL8431826 0.86 NOD1 (0.49) FOLH1NAALAD2RIMKLA
SCHEMBL29538498 0.85 FOLH1 (0.58) FOLH1NAALAD2RIMKLAGGHCA2
Hydrochloric Acid SCHEMBL27396604 0.84 NOD1 (0.48) FOLH1NAALAD2RIMKLA
SCHEMBL2552007 0.81 FOLH1 (0.62) FOLH1NAALAD2RIMKLAGGH
SCHEMBL2552010 0.81 FOLH1 (0.62) FOLH1NAALAD2RIMKLAGGH
SCHEMBL21911518 0.77 FOLH1 (0.56) FOLH1NAALAD2RIMKLAGGH
SCHEMBL30573309 0.75 FOLH1 (0.47) FOLH1NAALAD2RIMKLA
SCHEMBL19788624 0.74 FOLH1 (0.68) FOLH1NAALAD2RIMKLA

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-109298115-B Quantitative detection method for multiple metabolites in biological sample and metabolic chip 深圳市绘云生物科技有限公司 2020-07-28 — — CN claimed
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