SCHEMBL21828631

SCHEMBL21828631

N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.63
▸ SLC7A5 Q01650 1/20 0.63
▸ SLC15A2 Q16348 1/20 0.52
▸ NLN Q9BYT8 2/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ ITGB2 P05107 1/20 0.48
▸ ICAM1 P05362 1/20 0.48
▸ ITGAL P20701 1/20 0.48

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
SCHEMBL28806214 0.96 CYP3A4 (0.59) CYP3A4SLC7A5SLC15A2NLNCA1
SCHEMBL21828671 0.91 CYP3A4 (0.68) CYP3A4SLC7A5SLC15A2NLNCA1
SCHEMBL21748180 0.90 CYP3A4 (0.59) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL29868096 0.90 CYP3A4 (0.59) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL1230293 0.88 CYP3A4 (0.65) CYP3A4SLC7A5SLC15A2NLNCA1
SCHEMBL29380221 0.88 CYP3A4 (0.65) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL29391246 0.88 SLC15A2 (0.56) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL27906686 0.88 SLC15A2 (0.58) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL31066556 0.87 CYP3A4 (0.63) CYP3A4SLC7A5SLC15A2NLNCA1
SCHEMBL29728766 0.85 CYP3A4 (0.60) CYP3A4SLC7A5SLC15A2ITGB2ICAM1

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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