SCHEMBL29679821

SCHEMBL29679821

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ MAPK10 P53779 1/20 0.63
▸ KEAP1 Q14145 1/20 0.61
▸ EPHA2 P29317 2/20 0.52
▸ KDM1A O60341 3/20 0.52
▸ CALCRL Q16602 3/20 0.51
▸ REN P00797 5/20 0.50
▸ MAOB P27338 1/20 0.49
▸ KDM5A P29375 1/20 0.49
▸ KDM1B Q8NB78 1/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.49
▸ NMUR1 Q9HB89 1/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ NPY5R Q15761 1/20 0.48
▸ GLP1R P43220 1/20 0.48
▸ GCGR P47871 1/20 0.48
▸ GIPR P48546 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
SCHEMBL29679520 0.96 MAPK8 (0.65) MAPK8MAPK9MAPK10KEAP1EPHA2
SCHEMBL30726561 0.88 KEAP1 (0.68) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL29679870 0.87 MAPK8 (0.54) MAPK8MAPK9MAPK10KEAP1EPHA2
SCHEMBL30436616 0.86 MAPK8 (0.69) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30607414 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30712941 0.86 MAPK8 (0.73) MAPK8MAPK9MAPK10KEAP1EPHA2
SCHEMBL29607801 0.85 MAPK8 (0.72) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31401835 0.85 KEAP1 (0.65) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30906548 0.85 KEAP1 (0.72) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30906421 0.85 KEAP1 (0.68) MAPK8MAPK9MAPK10KEAP1GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO claimed
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
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