Sugi Predict

Sugi Predict / Compounds / SCHEMBL30015256

SCHEMBL30015256

SCHEMBL30015256

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ MAPK10 P53779 1/20 0.56
▸ EP300 Q09472 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ KEAP1 Q14145 1/20 0.53
▸ NMUR2 Q9GZQ4 4/20 0.52
▸ NMUR1 Q9HB89 4/20 0.52
▸ OPRD1 P41143 1/20 0.51
▸ TFPI P10646 2/20 0.51
▸ KDM1A O60341 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ KDM5A P29375 1/20 0.50
▸ KDM1B Q8NB78 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ NPY5R Q15761 1/20 0.50

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
SCHEMBL31362702 0.88 MAPK8 (0.51) MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL29727282 0.88 NTSR2 (0.52) OPRD1
SCHEMBL30974287 0.87 MAPK8 (0.60) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL29410236 0.87 MAPK8 (0.59) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31461977 0.87 NPY2R (0.58) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31462071 0.87 NPY2R (0.56) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31462014 0.86 MAPK8 (0.55) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31461972 0.86 NPY2R (0.53) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL38666025 0.86 EP300 (0.62) MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30792437 0.86 NMUR2 (0.56) EP300HIF1ANMUR2NMUR1TFPI

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
CN-112694429-B Polypeptide and application thereof in preparing ACE inhibitor or blood pressure lowering product 江苏医药职业学院 2022-08-19 — — CN disclosed
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