SCHEMBL30099509

SCHEMBL30099509

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ KEAP1 Q14145 1/20 0.44
▸ NMUR2 Q9GZQ4 5/20 0.43
▸ NMUR1 Q9HB89 5/20 0.43
▸ NAA50 Q9GZZ1 1/20 0.43
▸ RAMP3 O60896 6/20 0.41
▸ CALCR P30988 6/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ APLNR P35414 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM1B Q8NB78 1/20 0.39

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
SCHEMBL30978864 0.92 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL30099574 0.87 NMUR2 (0.49) NMUR2NMUR1NAA50RAMP3CALCR
SCHEMBL31031577 0.87 KDM1A (0.45) MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL30925881 0.86 MAPK8 (0.47) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL30925880 0.86 MAPK8 (0.47) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL29753847 0.86 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL29837332 0.86 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1NMUR2
SCHEMBL30099619 0.86 MC4R (0.45) NMUR2NMUR1NAA50RAMP3CALCR
SCHEMBL29825310 0.85 MAPK8 (0.44) MAPK8MAPK9MAPK10KEAP1
SCHEMBL31165809 0.85 MAPK8 (0.45) MAPK8MAPK9MAPK10KEAP1NMUR2

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
WO-2023003984-A2 LABEL-FREE DETECTION OF PROTEASE ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-01-26 — — WO claimed
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