Sugi Predict

Sugi Predict / Compounds / SCHEMBL29867534

SCHEMBL29867534

SCHEMBL29867534

CSCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.59
▸ GLP1R P43220 11/20 0.57
▸ GCGR P47871 3/20 0.57
▸ CALCA P06881 2/20 0.56
▸ GIPR P48546 6/20 0.56
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ CXCL8 P10145 1/20 0.54
▸ CALCR P30988 1/20 0.54
▸ CTSL P07711 1/20 0.54
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 0.54

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
SCHEMBL30974269 0.88 CXCR4 (0.57) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL31182901 0.86 CXCR4 (0.62) CXCR4GLP1RGCGRGIPRNPY1R
SCHEMBL30974523 0.85 CXCR4 (0.57) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL18642508 0.85 CXCR4 (0.64) CXCR4GLP1RCALCAGIPRNPY1R
SCHEMBL20493787 0.85 CXCR4 (0.64) CXCR4GLP1RCALCAGIPRNPY1R
SCHEMBL29867926 0.85 CXCR4 (0.65) CXCR4GLP1RGCGRCALCANPY1R
SCHEMBL30974107 0.83 CXCR4 (0.59) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30542100 0.83 KEAP1 (0.59) GLP1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31433384 0.83 C5AR1 (0.56) CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL30973986 0.83 CXCR4 (0.60) CXCR4GLP1RCALCAGIPRNPY1R

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-114921435-B Ornithine acetyltransferase mutant, encoding gene, plasmid, genetically engineered bacterium and application 南通紫琅生物医药科技有限公司 2023-08-29 — — CN disclosed
CN-114921435-A Ornithine acetyltransferase mutant, coding gene, plasmid, gene engineering bacterium and application 南通紫琅生物医药科技有限公司 2022-08-19 — — CN disclosed
Send feedback