SCHEMBL5690355

SCHEMBL5690355

COc1cc2c(cc1OC)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
SMN1; SMN2 Q16637 7/20 0.74
ALDH1A1 P00352 5/20 0.74
MAPK1 P28482 3/20 0.74
ABCB1 P08183 2/20 0.74
LMNA P02545 7/20 0.73
HTT P42858 3/20 0.72
MIF P14174 1/20 0.71
HSD17B3 P37058 1/20 0.65
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
SENP6 Q9GZR1 2/20 0.57
HPGD P15428 2/20 0.57
XBP1 P17861 2/20 0.56
TDP1 Q9NUW8 2/20 0.56

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
SCHEMBL5573382 0.91 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5573384 0.91 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL14454079 0.91 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5691813 0.88 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL16065599 0.87 MAOB (0.64) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL17439336 0.87 MAOB (0.64) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5690961 0.86 MAPT (0.76) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5690357 0.86 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5691824 0.86 BCHE (0.58) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1
SCHEMBL5691063 0.86 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1ABCB1

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