SCHEMBL30776088

SCHEMBL30776088

CC(C)[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.60
▸ CMA1 P23946 6/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ REN P00797 2/20 0.53
▸ ITGB1 P05556 1/20 0.51
▸ ITGA5 P08648 1/20 0.51
▸ ELANE P08246 1/20 0.51
▸ CTSG P08311 1/20 0.51
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ SORT1 Q99523 1/20 0.49

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
SCHEMBL31390815 0.86 SLC6A2 (0.56) SLC6A2OPRM1RENNTSR1
SCHEMBL29496921 0.86 SLC6A2 (0.66) SLC6A2OPRM1
SCHEMBL31211643 0.84 SLC6A2 (0.71) SLC6A2CMA1OPRM1REN
SCHEMBL30862234 0.83 SLC6A2 (0.54) SLC6A2OPRM1ITGB1ITGA5
SCHEMBL6886178 0.83 SLC6A2 (0.72) SLC6A2OPRM1REN
SCHEMBL6886172 0.83 SLC6A2 (0.72) SLC6A2OPRM1REN
SCHEMBL30953189 0.83 SLC6A2 (0.73) SLC6A2OPRM1REN
SCHEMBL31267118 0.83 ITGB1 (0.54) SLC6A2OPRM1ITGB1ITGA5
SCHEMBL29453074 0.83 SLC6A2 (0.65) SLC6A2OPRM1REN
SCHEMBL31257016 0.83 SLC6A2 (0.61) SLC6A2OPRM1RENNTSR2NTSR1

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-117659121-A Soybean protein tetrapeptide with antioxidant activity 重庆大学 2024-03-08 — — CN disclosed
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