Sugi Predict

Sugi Predict / Compounds / SCHEMBL29867926

SCHEMBL29867926

SCHEMBL29867926

CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 7/20 0.65
▸ CALCA P06881 2/20 0.61
▸ NPY1R P25929 1/20 0.61
▸ NPY2R P49146 1/20 0.61
▸ NPY4R P50391 1/20 0.61
▸ NPY5R Q15761 1/20 0.61
▸ CXCL8 P10145 1/20 0.61
▸ KEAP1 Q14145 1/20 0.60
▸ GLP1R P43220 4/20 0.60
▸ GCGR P47871 3/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.59
▸ PTH1R Q03431 1/20 0.59

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
SCHEMBL30658213 0.89 NPY2R (0.70) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30804655 0.89 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182766 0.89 PTH1R (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182943 0.89 CXCR4 (0.64) CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30437444 0.88 CXCR4 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416064 0.88 CXCR4 (0.62) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658324 0.88 NPY2R (0.71) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658318 0.88 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182642 0.88 NPY1R (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182712 0.87 NPY2R (0.69) CXCR4CALCANPY1RNPY2RNPY4R

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