SCHEMBL5490550

SCHEMBL5490550

COc1ccc(C(C=O)c2ccc(O)cc2O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ACHE P22303 3/20 0.43
BCHE P06276 1/20 0.43
TYR P14679 1/20 0.43
GAA P10253 1/20 0.41
MAOB P27338 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4070600 0.92 BCHE (0.52) ALDH1A1CYP3A4KMT2AMEN1HPGD
SCHEMBL4684702 0.84 ACHE (0.45) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL3955351 0.83 MEN1 (0.51) ALDH1A1CYP3A4KMT2AMEN1TP53
SCHEMBL4661084 0.82 TYR (0.65) ALDH1A1CYP3A4MAPTHPGDTDP1
SCHEMBL22365701 0.82 TYR (0.65) ALDH1A1CYP3A4MAPTHPGDTDP1
SCHEMBL14156960 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TP53MAPT
SCHEMBL5493143 0.81 TSHR (0.40) ALDH1A1CYP3A4KMT2AHPGDSMN1; SMN2
SCHEMBL1010039 0.81 HSP90AA1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL2827168 0.80 TYR (0.43) ALDH1A1MAPTHPGDTYRMAOB
SCHEMBL2174674 0.80 NR1H4 (0.45) KMT2AMEN1TP53MAPTTYR

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-1861402-A1 ISOFLAVONOID DIMERS Novogen Research Pty. Ltd. (AU) 2007-12-05 EP disclosed
WO-2006099681-A1 ISOFLAVONOID DIMERS NOVOGEN RESEARCH PTY LTD (AU) 2006-09-28 WO disclosed