SCHEMBL5690118

SCHEMBL5690118

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

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.60
ABCB1 P08183 1/20 0.60
MAOA P21397 1/20 0.60
APP P05067 1/20 0.58
ACHE P22303 6/20 0.57
CES2 O00748 3/20 0.55
MIF P14174 2/20 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
SCHEMBL29598843 1.00 MAOB (0.60) MAOBABCB1MAOAAPPACHE
SCHEMBL5692074 1.00 MAOB (0.60) MAOBABCB1MAOAAPPACHE
SCHEMBL5690929 0.89 MAOB (0.63) MAOBABCB1MAOAAPPACHE
SCHEMBL17447196 0.87 MAOB (0.60) MAOBABCB1MAOAAPPACHE
SCHEMBL5691841 0.85 MAOB (0.64) MAOBABCB1MAOAAPPACHE
SCHEMBL8071349 0.85 MIF (0.67) MAOBMAOAACHECES2MIF
SCHEMBL5690829 0.84 MAOB (0.55) MAOBABCB1MAOAAPPACHE
SCHEMBL7629839 0.83 MAOB (0.68) MAOBMAOAACHECES2MIF
SCHEMBL5690830 0.83 MAOB (0.69) MAOBABCB1MAOAAPPACHE
SCHEMBL5690560 0.82 MAOB (0.64) MAOBABCB1MAOAAPPACHE

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