Sugi Predict

Sugi Predict / Compounds / SCHEMBL30468116

SCHEMBL30468116

SCHEMBL30468116

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.58
▸ NMUR2 Q9GZQ4 4/20 0.54
▸ NMUR1 Q9HB89 3/20 0.54
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53

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
SCHEMBL30005892 0.98 REN (0.57) RENNMUR2NMUR1MAPK8MAPK9
SCHEMBL30004440 0.93 REN (0.53) RENNMUR2NMUR1MAPK8MAPK9
SCHEMBL13599743 0.92 KDM1A (0.55) RENNMUR2NMUR1
SCHEMBL30817830 0.90 REN (0.56) REN
SCHEMBL29713443 0.90 REN (0.50) REN
SCHEMBL30005549 0.90 NMUR2 (0.50) RENNMUR2NMUR1
SCHEMBL31462060 0.88 REN (0.63) RENMAPK8MAPK9MAPK10
SCHEMBL31461991 0.88 MAPK8 (0.61) RENMAPK8MAPK9MAPK10
SCHEMBL31462042 0.87 REN (0.60) RENMAPK8MAPK9MAPK10
SCHEMBL30233455 0.86 STAT3 (0.52) RENNMUR2NMUR1

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-116333048-A Ma Ruyuan small molecule peptide with dipeptidyl peptidase IV inhibition effect and application thereof 昆明理工大学 2023-06-27 — — CN claimed
CN-116333048-A Ma Ruyuan small molecule peptide with dipeptidyl peptidase IV inhibition effect and application thereof 昆明理工大学 2023-06-27 — — CN disclosed
CN-116333048-A Ma Ruyuan small molecule peptide with dipeptidyl peptidase IV inhibition effect and application thereof 昆明理工大学 2023-06-27 — — CN disclosed
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