SCHEMBL28610885

SCHEMBL28610885

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MME P08473 3/20 0.40
▸ LAP3 P28838 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FOLH1 Q04609 2/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ LARS1 Q9P2J5 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36

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
SCHEMBL10421343 0.96 SLC7A5 (0.46) SLC7A5ALDH1A1SLC1A3SLC1A2MAPT
SCHEMBL9810318 0.95 SLC7A5 (0.50) SLC7A5ALDH1A1SLC1A3SLC1A2MAPT
SCHEMBL9810324 0.95 SLC7A5 (0.50) SLC7A5ALDH1A1SLC1A3SLC1A2MAPT
SCHEMBL9326107 0.86 NOD1 (0.50) SLC7A5SLC1A3SLC1A2NOD1ITGB1
Leu-Leu SCHEMBL13737576 0.82 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTMMELAP3
Leu-Leu SCHEMBL235250 0.82 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTMMELAP3
Leu-Leu SCHEMBL235249 0.82 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTMMELAP3
Leu-Leu SCHEMBL6044006 0.82 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTMMELAP3
Leu-Leu SCHEMBL29401942 0.82 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTMMELAP3
Leu-Leu SCHEMBL18774992 0.82 ALDH1A1 (0.60) SLC7A5ALDH1A1MAPTMMELAP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574279-A Antioxidant leucistine and preparation method and application thereof 江苏海洋大学 2021-03-30 — — CN disclosed
CN-112574279-A Antioxidant leucistine and preparation method and application thereof 江苏海洋大学 2021-03-30 — — CN disclosed
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