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SCHEMBL30712941

SCHEMBL30712941

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.73
▸ MAPK9 P45984 1/20 0.73
▸ MAPK10 P53779 1/20 0.73
▸ KEAP1 Q14145 1/20 0.69
▸ NPY2R P49146 8/20 0.57
▸ NPY4R P50391 8/20 0.57
▸ NPY5R Q15761 8/20 0.57
▸ NPY1R P25929 6/20 0.57
▸ KDM1A O60341 3/20 0.57
▸ EPHA2 P29317 1/20 0.56
▸ EP300 Q09472 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ RAMP3 O60896 3/20 0.55
▸ CALCR P30988 3/20 0.55
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 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
SCHEMBL30436616 0.91 MAPK8 (0.69) MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30824283 0.89 KEAP1 (0.71) MAPK8MAPK9MAPK10KEAP1
SCHEMBL30432934 0.89 MAPK8 (0.72) MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30495769 0.89 MAPK8 (0.69) MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL29361874 0.88 MAPK8 (0.76) MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30607414 0.87 MAPK8 (0.64) MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL29679527 0.87 MAPK8 (0.66) MAPK8MAPK9MAPK10KEAP1
SCHEMBL29679520 0.86 MAPK8 (0.65) MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30607366 0.86 MAPK8 (0.60) MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL29679821 0.86 MAPK8 (0.63) MAPK8MAPK9MAPK10KEAP1NPY2R

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
US-20240003881-A1 SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-01-04 — — US disclosed
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