SCHEMBL7499952

SCHEMBL7499952

COc1cccc(-c2coc3cc(OC(C)=O)ccc3c2=O)c1.COc1cccc(-c2coc3cc(OC(C)=O)ccc3c2=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.77
RAB9A P51151 9/20 0.77
NPC1 O15118 9/20 0.77
SMN1; SMN2 Q16637 9/20 0.77
ALDH1A1 P00352 7/20 0.77
KDM4E B2RXH2 4/20 0.77
PPARG P37231 2/20 0.71
PPARD Q03181 2/20 0.71
PPARA Q07869 2/20 0.71
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
TP53 P04637 4/20 0.68
CYP3A4 P08684 3/20 0.68
HPGD P15428 2/20 0.68
LMNA P02545 2/20 0.62
XDH P47989 1/20 0.62
MAPK1 P28482 4/20 0.59
HSD17B10 Q99714 3/20 0.59
TSHR P16473 2/20 0.59
GAPDH P04406 1/20 0.58

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
SCHEMBL2069068 1.00 MAPT (0.77) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2069266 0.95 MAPT (0.84) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30527861 0.91 MAPT (0.82) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5504492 0.91 MAPT (0.82) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2069145 0.88 RAB9A (0.80) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29036863 0.88 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2070406 0.87 NPC1 (1.00) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1724568 0.84 MAPT (0.85) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1038112 0.84 MAPT (0.78) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2070726 0.83 PPARG (1.00) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP disclosed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP disclosed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO disclosed