SCHEMBL28111546

SCHEMBL28111546

COc1ccc(-c2coc3cc(OCCCc4ccccc4)ccc3c2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
MAPT P10636 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
KDM4E B2RXH2 2/20 0.67
TP53 P04637 2/20 0.67
CYP3A4 P08684 2/20 0.67
HPGD P15428 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HRH3 Q9Y5N1 3/20 0.67
ALDH2 P05091 9/20 0.59
MAOA P21397 5/20 0.59
MAOB P27338 5/20 0.59
TERT O14746 1/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
XDH P47989 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
SCHEMBL2109464 0.89 ALDH2 (0.76) ALDH2MAOAMAOB
SCHEMBL950959 0.88 MAPT (0.72) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12946416 0.87 HRH3 (0.78) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL31241609 0.84 ALDH2 (0.79) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2107434 0.84 ALDH2 (0.77) ALDH2MAOAMAOB
SCHEMBL31241612 0.84 ALDH2 (0.80) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL11556173 0.83 ALDH2 (0.73) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL740753 0.83 ALDH2 (0.80) HRH3ALDH2MAOAMAOB
SCHEMBL30527918 0.82 ALDH2 (0.80) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8983891 0.82 MAPT (0.68) ALDH1A1MAPTMEN1KMT2ANPC1

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
CN-106146450-B Formoononetin derivative, preparation method and medical usage 南京华迈生物医药科技有限公司 2019-02-15 CN disclosed
CN-106146450-A Formoononetin derivant, its preparation method and medical usage 南京华迈生物医药科技有限公司 2016-11-23 CN disclosed