SCHEMBL28124002

SCHEMBL28124002

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.54
▸ ICAM1 P05362 3/20 0.54
▸ ITGAL P20701 3/20 0.54
▸ CYP3A4 P08684 2/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ SLC15A2 Q16348 1/20 0.52
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.51
▸ ANPEP P15144 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ HRH4 Q9H3N8 3/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ THPO P40225 1/20 0.47

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
SCHEMBL28101252 0.94 LNPEP (0.51) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL21828615 0.89 ITGB2 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL27638943 0.89 ITGB2 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL10448583 0.88 HRH3 (0.45) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL1161012 0.86 ITGB2 (0.59) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL1229751 0.86 ITGB2 (0.59) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL308989 0.86 ITGB2 (0.59) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL27469252 0.85 ITGB2 (0.58) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL30656637 0.85 ITGB2 (0.53) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL21828671 0.82 CYP3A4 (0.68) ITGB2ICAM1ITGALCYP3A4SLC7A5

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-106456633-A Sugar metabolism improving agent 三得利控股株式会社 2017-02-22 — — CN disclosed
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