SCHEMBL5690601

SCHEMBL5690601

COc1cc2c(cc1OC)C(=O)C(=Cc1cc(Cl)cc(Cl)c1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
MIF P14174 5/20 0.57
SMN1; SMN2 Q16637 7/20 0.56
MAPT P10636 7/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 2/20 0.56
ABCB1 P08183 2/20 0.56
LMNA P02545 7/20 0.54
HTT P42858 3/20 0.54
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL8069049 0.87 MAOB (0.64) ACHEABCB1MAOBMAOA
SCHEMBL5690560 0.87 MAOB (0.64) ACHEABCB1MAOBMAOA
SCHEMBL5690297 0.87 XDH (0.62) BCHEACHEMIFSMN1; SMN2MAPT
SCHEMBL5691824 0.86 BCHE (0.58) BCHEACHEMIFSMN1; SMN2MAPT
SCHEMBL5691063 0.86 MAPT (0.63) BCHEACHEMIFSMN1; SMN2MAPT
SCHEMBL5690357 0.86 MAPT (0.63) BCHEACHEMIFSMN1; SMN2MAPT
SCHEMBL5690355 0.86 MAPT (0.74) BCHEACHEMIFSMN1; SMN2MAPT
SCHEMBL5691813 0.85 MAPT (0.74) BCHEACHEMIFSMN1; SMN2MAPT
SCHEMBL5690961 0.83 MAPT (0.76) BCHEACHEMIFSMN1; SMN2MAPT
SCHEMBL5690576 0.82 MIF (0.69) BCHEACHEMIFSMN1; SMN2MAPT

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