SCHEMBL30645305

SCHEMBL30645305

NC(=O)C[C@H](NN1CCCCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.39
▸ ICAM1 P05362 2/20 0.39
▸ ITGAL P20701 2/20 0.39
▸ ECE1 P42892 2/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA1 P00915 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PIN1 Q13526 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32

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
SCHEMBL28432618 0.85 MME (0.41) CA2CA1ALDH1A1DPP7HTT
SCHEMBL28212550 0.83 MME (0.40) CA2CA1ALDH1A1HTTMAPT
SCHEMBL28307549 0.83 L3MBTL1 (0.42) CA2CA1KMT2AL3MBTL1DPP7
SCHEMBL1038171 0.76 ECE1 (0.42) ITGB2ICAM1ITGALECE1CA2
SCHEMBL28381301 0.75 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL5282044 0.75 CA2 (0.40) CA2CA1MAPT
SCHEMBL5282039 0.75 CA2 (0.40) CA2CA1MAPT
SCHEMBL364063 0.75 CPB2 (0.50) —
SCHEMBL364062 0.75 CPB2 (0.50) —
SCHEMBL11143392 0.73 FOLH1 (0.50) —

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-117186174-A Tripeptide compound, preparation method and application thereof 浙大城市学院 2023-12-08 — — CN disclosed
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