SCHEMBL5691827

SCHEMBL5691827

COc1cc2c(cc1OC)C(=O)C(=Cc1cccc([N+](=O)[O-])c1)CC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
ALDH1A1 P00352 5/20 0.68
LMNA P02545 4/20 0.68
HPGD P15428 2/20 0.68
MAOB P27338 2/20 0.62
APP P05067 1/20 0.62
ACHE P22303 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
HSP90AA1 P07900 2/20 0.56
MAPK1 P28482 2/20 0.56
HTT P42858 2/20 0.56
ATM Q13315 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
BCHE P06276 3/20 0.54
CASP3 P42574 3/20 0.54
SENP8 Q96LD8 3/20 0.54
SENP7 Q9BQF6 3/20 0.54
SENP6 Q9GZR1 3/20 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
SCHEMBL8543861 0.86 MAPT (0.70) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL8543868 0.86 MAPT (0.70) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL5690297 0.82 XDH (0.62) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL5691830 0.82 MAPT (0.73) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL8547627 0.81 MAPT (1.00) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL8547623 0.81 MAPT (1.00) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL5690961 0.80 MAPT (0.76) MAPTALDH1A1LMNAHPGDACHE
SCHEMBL5690775 0.77 ACHE (0.58) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL5690576 0.76 MIF (0.69) MAPTALDH1A1LMNAHPGDMAOB
SCHEMBL3503220 0.75 MAPT (0.73) MAPTALDH1A1LMNAHPGDMAOB

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
EP-1039897-B1 INADONE AND TETRALONE COMPOUNDS FOR INHIBITING CELL PROLIFERATION UNIV CALIFORNIA (US) 2006-04-12 EP disclosed
US-6162810-A Inadone and tetralone compounds for inhibiting cell proliferation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-19 US disclosed