Sugi Predict

Sugi Predict / Compounds / SCHEMBL30428853

SCHEMBL30428853

SCHEMBL30428853

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.64
▸ NPY1R P25929 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ NPY4R P50391 1/20 0.62
▸ NPY5R Q15761 1/20 0.62
▸ GLP1R P43220 11/20 0.62
▸ GCGR P47871 5/20 0.61
▸ GIPR P48546 5/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.59
▸ MC4R P32245 1/20 0.59
▸ MC5R P33032 1/20 0.59
▸ MC3R P41968 1/20 0.59
▸ MC1R Q01726 1/20 0.59
▸ CXCR4 P61073 1/20 0.58
▸ CTSL P07711 1/20 0.58
▸ CTSH P09668 1/20 0.58
▸ CTSS P25774 1/20 0.58
▸ CTSK P43235 1/20 0.58

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
SCHEMBL30658353 0.92 NPY1R (0.66) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495836 0.91 GLP1R (0.66) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658259 0.90 NPY2R (0.70) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607277 0.90 NPY2R (0.70) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495767 0.90 NPY1R (0.69) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495698 0.89 GLP1R (0.66) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658214 0.89 NPY2R (0.72) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29743005 0.88 KEAP1 (0.62) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658324 0.88 NPY2R (0.71) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182745 0.87 NPY1R (0.71) NPY1RNPY2RNPY4RNPY5RGLP1R

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
US-20230165951-A1 Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19 MAMEDOV TARLAN (TR) 2023-06-01 — — US disclosed
Send feedback