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Sugi Predict / Compounds / SCHEMBL30780082

SCHEMBL30780082

SCHEMBL30780082

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.56
▸ PTH1R Q03431 4/20 0.55
▸ IL23R Q5VWK5 2/20 0.53
▸ EDNRA P25101 1/20 0.52
▸ SLC2A1 P11166 2/20 0.52
▸ KISS1R Q969F8 3/20 0.51
▸ TLR2 O60603 3/20 0.50
▸ MAGI3 Q5TCQ9 1/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 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
SCHEMBL30780081 0.95 RXFP1 (0.56) RXFP1PTH1RIL23REDNRASLC2A1
SCHEMBL11811768 0.89 MAGI3 (0.54) EDNRAKISS1RMAGI3CTSBCTSK
SCHEMBL30093018 0.88 MAGI3 (0.57) RXFP1PTH1REDNRAKISS1RMAGI3
SCHEMBL30093029 0.88 EDNRA (0.57) EDNRAKISS1RMAGI3CTSBCTSK
SCHEMBL30130582 0.88 EDNRA (0.57) EDNRAKISS1RMAGI3CTSBCTSK
SCHEMBL30130573 0.88 EDNRA (0.59) EDNRAKISS1RMAGI3CTSBCTSK
SCHEMBL30092966 0.88 PCSK9 (0.57) RXFP1PTH1RIL23REDNRASLC2A1
SCHEMBL30092964 0.88 PCSK9 (0.57) RXFP1PTH1RIL23REDNRASLC2A1
SCHEMBL31279646 0.88 PTH1R (0.57) RXFP1PTH1REDNRASLC2A1KISS1R
SCHEMBL30543287 0.88 PTH1R (0.57) RXFP1PTH1REDNRASLC2A1KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384268-A Antibacterial peptide ARI14 synthesized based on large yellow croaker LEAP2A and application thereof 福建农林大学 2024-01-12 — — CN claimed
CN-117384268-A Antibacterial peptide ARI14 synthesized based on large yellow croaker LEAP2A and application thereof 福建农林大学 2024-01-12 — — CN disclosed
CN-117384268-A Antibacterial peptide ARI14 synthesized based on large yellow croaker LEAP2A and application thereof 福建农林大学 2024-01-12 — — CN disclosed
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