SCHEMBL30913236

SCHEMBL30913236

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.51
▸ F2 P00734 4/20 0.49
▸ NTSR2 O95665 11/20 0.49
▸ NTSR1 P30989 11/20 0.49
▸ SORT1 Q99523 10/20 0.49
▸ CALCR P30988 3/20 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
SCHEMBL29649204 0.87 F2 (0.51) RENF2NTSR2NTSR1SORT1
SCHEMBL29608127 0.86 REN (0.49) RENF2NTSR2NTSR1SORT1
SCHEMBL30676223 0.85 REN (0.47) RENF2NTSR2NTSR1SORT1
SCHEMBL30168719 0.84 F2 (0.53) RENF2NTSR2NTSR1SORT1
SCHEMBL29448209 0.84 REN (0.66) RENNTSR2NTSR1SORT1
SCHEMBL31465300 0.84 F2 (0.52) RENF2NTSR2NTSR1SORT1
SCHEMBL29649750 0.83 XIAP (0.56) RENNTSR2NTSR1SORT1
SCHEMBL29608153 0.83 REN (0.51) RENF2NTSR2NTSR1SORT1
SCHEMBL29607579 0.82 SLC6A2 (0.49) RENF2NTSR2NTSR1SORT1
SCHEMBL31583750 0.82 REN (0.46) RENF2

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-117882816-A Natural compound preservative and application thereof 广东厨邦食品有限公司 2024-04-16 — — CN disclosed
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