Sugi Predict

Sugi Predict / Compounds / SCHEMBL30780077

SCHEMBL30780077

SCHEMBL30780077

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]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)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@@H](C)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ KEAP1 Q14145 2/20 0.53
▸ CXCR4 P61073 3/20 0.53
▸ PTH1R Q03431 1/20 0.53
▸ KISS1R Q969F8 3/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ F13A1 P00488 1/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL30780078 0.97 KEAP1 (0.57) CTSLCTSSCTSKCTSHKEAP1
SCHEMBL29415999 0.89 NPY1R (0.59) KEAP1CXCR4PTH1RKISS1RNPY1R
SCHEMBL29743005 0.88 KEAP1 (0.62) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30697764 0.87 CTSL (0.60) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30780082 0.87 RXFP1 (0.56) CTSKKEAP1PTH1RKISS1RCTSB
SCHEMBL30582469 0.86 CTSL (0.57) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30988898 0.86 CTSL (0.56) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29463744 0.86 KISS1R (0.60) CXCR4KISS1RCAPN1CTSBF13A1
SCHEMBL30508526 0.85 CXCR4 (0.58) CXCR4KISS1RMAPK8MAPK9MAPK10
SCHEMBL31433347 0.85 KISS1R (0.56) CXCR4KISS1RMAPK8MAPK9MAPK10

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-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
Send feedback