Sugi Predict

Sugi Predict / Compounds / SCHEMBL30648455

SCHEMBL30648455

SCHEMBL30648455

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ RAMP3 O60896 1/20 0.58
▸ CALCR P30988 1/20 0.58
▸ NMUR2 Q9GZQ4 4/20 0.57
▸ NMUR1 Q9HB89 4/20 0.57
▸ KDM1A O60341 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ KEAP1 Q14145 2/20 0.56
▸ TFPI P10646 1/20 0.55

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
SCHEMBL30277956 0.98 EP300 (0.63) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30277959 0.96 KEAP1 (0.60) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29479812 0.94 KEAP1 (0.60) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30262198 0.90 EP300 (0.64) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31000870 0.89 MAPK8 (0.67) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30432659 0.89 EP300 (0.69) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31474428 0.89 RAMP3 (0.67) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30495658 0.88 NPY2R (0.59) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30824286 0.88 EP300 (0.68) EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29562124 0.88 NPY2R (0.67) EP300HIF1ANPY2RNPY4RNPY5R

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-116948034-B Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2024-06-25 — — CN disclosed
CN-116948034-A Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2023-10-27 — — CN disclosed
Send feedback