SCHEMBL5690929

SCHEMBL5690929

COc1cc2c(cc1OC)C(=O)C(=Cc1cc(OC)c(O)c(OC)c1)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.63
ABCB1 P08183 1/20 0.63
MAOA P21397 1/20 0.63
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
XBP1 P17861 1/20 0.62
CYP2B6 P20813 1/20 0.62
MPI P34949 1/20 0.62
HTT P42858 1/20 0.62
RECQL P46063 1/20 0.62
BLM P54132 1/20 0.62
KMT2A Q03164 1/20 0.62
MCL1 Q07820 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL29598843 0.89 MAOB (0.60) MAOBABCB1MAOACES2APP
SCHEMBL5690118 0.89 MAOB (0.60) MAOBABCB1MAOACES2APP
SCHEMBL5692074 0.89 MAOB (0.60) MAOBABCB1MAOACES2APP
SCHEMBL28949935 0.88 CES2 (0.78) MAOBMAOACES2MIF
SCHEMBL30214417 0.88 CES2 (0.78) MAOBMAOACES2MIF
SCHEMBL28949933 0.88 CES2 (0.78) MAOBMAOACES2MIF
SCHEMBL5691813 0.88 MAPT (0.74) ABCB1KDM4EMEN1LMNAPOLB
SCHEMBL17439336 0.87 MAOB (0.64) MAOBABCB1MAOALMNAMAPT
SCHEMBL16065599 0.87 MAOB (0.64) MAOBABCB1MAOALMNAMAPT
SCHEMBL28571639 0.85 CES2 (0.82) MAOBABCB1MAOAKDM4EMEN1

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 5 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
EP-1039897-A4 INADONE AND TETRALONE COMPOUNDS FOR INHIBITING CELL PROLIFERATION UNIV CALIFORNIA (US) 2002-10-02 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
EP-1039897-A1 INADONE AND TETRALONE COMPOUNDS FOR INHIBITING CELL PROLIFERATION The Regents of the University of California (US) 2000-10-04 EP disclosed
WO-1999025335-A1 INADONE AND TETRALONE COMPOUNDS FOR INHIBITING CELL PROLIFERATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-05-27 WO disclosed