SCHEMBL28020511

SCHEMBL28020511

CC(C)(C)NC(=O)O[C@@H](Cc1ccccc1)C(O)C(=O)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSD P07339 1/20 0.39
CAPN1 P07384 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL28020483 0.81 SCN9A (0.45) SCN9ARAB9A
SCHEMBL27485822 0.79 SCN9A (0.47) SCN9ALMNATSHRRAB9A
SCHEMBL289669 0.77 KLK5 (0.53) SCN9AKMT2AL3MBTL1
SCHEMBL16462573 0.77 KLK5 (0.53) SCN9AKMT2AL3MBTL1
SCHEMBL3836761 0.77 KLK5 (0.53) SCN9AKMT2AL3MBTL1
SCHEMBL28837742 0.76 SCN9A (0.47) SCN9ARAB9A
SCHEMBL28837747 0.76 SCN9A (0.47) SCN9ARAB9A
SCHEMBL28820188 0.75 CTSL (0.44) SCN9ARAB9A
SCHEMBL5404351 0.75 BCHE (0.43) SCN9ACTSDRAB9A
SCHEMBL5404358 0.75 BCHE (0.43) SCN9ACTSDRAB9A

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-104837858-A Ketoamide immunoproteasome inhibitors HOFFMANN LA ROCHE 2015-08-12 CN disclosed