Sugi Predict

Sugi Predict / Compounds / SCHEMBL24483647

SCHEMBL24483647

SCHEMBL24483647

C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.85
▸ ELANE P08246 4/20 0.53
▸ CACNA1B Q00975 1/20 0.52
▸ KEAP1 Q14145 5/20 0.51
▸ KLK5 Q9Y337 2/20 0.50
▸ ALB P02768 1/20 0.48
▸ PCSK9 Q8NBP7 1/20 0.48
▸ EPS15 P42566 1/20 0.48
▸ ITGB3 P05106 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ GABBR2 O75899 1/20 0.47
▸ GABBR1 Q9UBS5 1/20 0.47
▸ ST14 Q9Y5Y6 1/20 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
SCHEMBL19432881 0.93 SLC6A3 (0.73) SLC6A3ELANECACNA1BITGB3ITGB1
Linaclotide SCHEMBL13114620 0.92 SLC6A3 (1.00) SLC6A3ELANECACNA1BKEAP1KLK5
Linaclotide SCHEMBL25681390 0.92 SLC6A3 (1.00) SLC6A3ELANECACNA1BKEAP1KLK5
Linaclotide SCHEMBL24484183 0.92 SLC6A3 (1.00) SLC6A3ELANECACNA1BKEAP1KLK5
Linaclotide SCHEMBL25842727 0.92 SLC6A3 (1.00) SLC6A3ELANECACNA1BKEAP1KLK5
Linaclotide SCHEMBL29355565 0.91 SLC6A3 (0.98) SLC6A3ELANECACNA1BKEAP1PCSK9
Linaclotide SCHEMBL25382574 0.91 SLC6A3 (0.98) SLC6A3ELANECACNA1BKEAP1PCSK9
SCHEMBL24483643 0.91 SLC6A3 (0.81) SLC6A3ELANECACNA1BKEAP1KLK5
SCHEMBL19432906 0.90 SLC6A3 (0.90) SLC6A3ELANECACNA1BKEAP1PCSK9
SCHEMBL24483373 0.87 SLC6A3 (0.90) SLC6A3ELANECACNA1BKEAP1KLK5

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
WO-2022115799-A1 RADIOPHARMACEUTICAL CONJUGATES TARGETING GUANYLYL CYCLASE C, AND COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. (US) 2022-06-02 — — WO disclosed