Sugi Predict

Sugi Predict / Compounds / SCHEMBL30605188

SCHEMBL30605188

SCHEMBL30605188

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 7/20 0.60
▸ F2 P00734 5/20 0.57
▸ MAPK8 P45983 1/20 0.57
▸ MAPK9 P45984 1/20 0.57
▸ MAPK10 P53779 1/20 0.57
▸ CALCR P30988 2/20 0.54
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ CALCRL Q16602 1/20 0.54

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
SCHEMBL30431820 0.90 CALCR (0.60) KEAP1F2MAPK8MAPK9MAPK10
SCHEMBL31226869 0.89 NTSR1 (0.60) KEAP1F2NTSR2NTSR1
SCHEMBL31182439 0.89 CALCR (0.63) F2CALCR
SCHEMBL32677416 0.88 BACE1 (0.60) F2NTSR2NTSR1
SCHEMBL30567780 0.87 F2 (0.60) F2MAPK8MAPK9MAPK10CALCR
SCHEMBL29649200 0.87 CALCR (0.60) F2CALCRCALCRL
SCHEMBL30432762 0.86 MAPK8 (0.65) KEAP1MAPK8MAPK9MAPK10CALCR
SCHEMBL29867615 0.86 CALCR (0.62) F2MAPK8MAPK9MAPK10CALCR
SCHEMBL31182783 0.86 CALCR (0.63) F2MAPK8MAPK9MAPK10CALCR
SCHEMBL29430201 0.86 F2 (0.57) F2MAPK8MAPK9MAPK10CALCR

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-116874610-A Polypeptide material for protecting neuron cells cooperatively in multiple ways and application thereof 福建医科大学附属第一医院 2023-10-13 — — CN disclosed
Send feedback