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Sugi Predict / Compounds / SCHEMBL30688070

SCHEMBL30688070

SCHEMBL30688070

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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ EPHA2 P29317 2/20 0.55
▸ APLNR P35414 1/20 0.52
▸ CXCR4 P61073 2/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ AGTR2 P50052 2/20 0.49
▸ AGTR1 P30556 1/20 0.49
▸ NPY2R P49146 5/20 0.49
▸ NPY4R P50391 5/20 0.49
▸ NPY5R Q15761 5/20 0.49
▸ NPY1R P25929 4/20 0.49
▸ F2 P00734 1/20 0.49
▸ CALCR P30988 1/20 0.48

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
SCHEMBL30688082 0.98 EPHA2 (0.59) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL29706466 0.98 MAPK8 (0.58) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL30688077 0.93 MAPK8 (0.59) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL30688083 0.92 MAPK8 (0.57) MAPK8MAPK9MAPK10EPHA2APLNR
SCHEMBL30688079 0.90 EPHA2 (0.61) MAPK8MAPK9MAPK10EPHA2NPY2R
SCHEMBL29706198 0.88 MAPK8 (0.53) MAPK8MAPK9MAPK10AGTR2AGTR1
SCHEMBL29706255 0.88 MAPK8 (0.56) MAPK8MAPK9MAPK10AGTR2AGTR1
SCHEMBL17451635 0.88 APLNR (0.55) MAPK8MAPK9MAPK10APLNRCXCR4
SCHEMBL29706192 0.87 MAPK8 (0.53) MAPK8MAPK9MAPK10AGTR2AGTR1
SCHEMBL29706178 0.87 MAPK8 (0.56) MAPK8MAPK9MAPK10CXCR4NPY2R

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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