SCHEMBL29899273

SCHEMBL29899273

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ KEAP1 Q14145 1/20 0.55
▸ KDM1A O60341 3/20 0.51
▸ MAOB P27338 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM1B Q8NB78 1/20 0.47
▸ REN P00797 9/20 0.46
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44

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
SCHEMBL30658576 0.88 KDM1A (0.51) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30930547 0.86 KDM1A (0.56) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL3215690 0.86 MAPK8 (0.51) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29680012 0.85 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL31462062 0.85 MAPK8 (0.48) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30686009 0.84 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL29611810 0.84 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1
SCHEMBL29611735 0.84 MAPK8 (0.53) MAPK8MAPK9MAPK10NPY1RNPY2R
SCHEMBL31410879 0.83 NPY2R (0.47) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31410825 0.83 MAPK8 (0.56) MAPK8MAPK9MAPK10KEAP1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028706-B Application of Ma Rulao protein small molecule peptide in preparation of dipeptidyl peptidase IV inhibitor 昆明理工大学 2024-02-09 — — CN claimed
CN-115028706-A Application of fetoprotein small molecule peptide in preparation of dipeptidyl peptidase IV inhibitor 昆明理工大学 2022-09-09 — — CN claimed
CN-115028706-B Application of Ma Rulao protein small molecule peptide in preparation of dipeptidyl peptidase IV inhibitor 昆明理工大学 2024-02-09 — — CN disclosed
CN-115028706-B Application of Ma Rulao protein small molecule peptide in preparation of dipeptidyl peptidase IV inhibitor 昆明理工大学 2024-02-09 — — CN disclosed
CN-115028706-A Application of fetoprotein small molecule peptide in preparation of dipeptidyl peptidase IV inhibitor 昆明理工大学 2022-09-09 — — CN disclosed
CN-115028706-A Application of fetoprotein small molecule peptide in preparation of dipeptidyl peptidase IV inhibitor 昆明理工大学 2022-09-09 — — CN disclosed
Send feedback