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Sugi Predict / Compounds / SCHEMBL30688075

SCHEMBL30688075

SCHEMBL30688075

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ EPHA2 P29317 2/20 0.56
▸ CALCR P30988 5/20 0.55
▸ RAMP3 O60896 1/20 0.54
▸ NPY1R P25929 6/20 0.53
▸ NPY2R P49146 6/20 0.53
▸ NPY4R P50391 6/20 0.53
▸ NPY5R Q15761 6/20 0.53
▸ OPRD1 P41143 2/20 0.53
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52

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
SCHEMBL30688076 0.99 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL30688073 0.98 MAPK8 (0.62) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL29706197 0.97 MAPK8 (0.61) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL30688080 0.96 MAPK8 (0.58) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL30688079 0.96 EPHA2 (0.61) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL29706151 0.96 OPRD1 (0.58) MAPK8MAPK9MAPK10CALCRNPY1R
SCHEMBL30598184 0.96 OPRD1 (0.58) MAPK8MAPK9MAPK10CALCRNPY1R
SCHEMBL29706239 0.95 MAPK8 (0.59) MAPK8MAPK9MAPK10CALCRNPY1R
SCHEMBL30688074 0.94 MAPK8 (0.58) MAPK8MAPK9MAPK10EPHA2CALCR
SCHEMBL30688085 0.94 MAPK8 (0.60) MAPK8MAPK9MAPK10EPHA2CALCR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946593-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2024-11-12 — — CN disclosed
CN-117186237-A Insulin hybrid peptide containing chymotrypsin inhibitory peptide and application thereof 中国医学科学院药物研究所 2023-12-08 — — CN disclosed
WO-2023231969-A1 INSULIN HYBRID PEPTIDE COMPRISING CHYMOTRYPSIN INHIBITORY PEPTIDE, AND USE THEREOF 中国医学科学院药物研究所 2023-12-07 — — WO disclosed
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