SCHEMBL29130421

SCHEMBL29130421

CCN(C(=O)Oc1cccc(C=O)c1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAOB P27338 8/20 0.45
NPC1 O15118 3/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRC P12931 1/20 0.42
MAOA P21397 3/20 0.41
ACHE P22303 2/20 0.40
FAAH O00519 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10013759 0.83 MAOB (0.60) BCHEPOLBALDH1A1MAOBNPC1
SCHEMBL27445939 0.81 CYP3A4 (0.45) BCHEALDH1A1KMT2AMEN1ACHE
SCHEMBL6242893 0.81 LMNA (0.49) BCHEALDH1A1KMT2AGAAMAPT
SCHEMBL27766267 0.79 KMT2A (0.50) BCHEALDH1A1NPC1KMT2ARAB9A
SCHEMBL29228866 0.78 ACHE (0.49) BCHEMAOBMAOAACHEFAAH
SCHEMBL27410608 0.78 ACHE (0.44) BCHEMAOBKMT2AMEN1ACHE
SCHEMBL8519068 0.78 BCHE (0.59) BCHEPOLBALDH1A1MAOBNPC1
SCHEMBL1035304 0.75 POLB (0.52) POLBALDH1A1MAOBNPC1KMT2A
SCHEMBL1244858 0.75 ACHE (0.58) POLBALDH1A1MAOBNPC1KMT2A
SCHEMBL2635319 0.74 BCHE (0.39) BCHEPOLBNPC1RAB9AACHE

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-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed