SCHEMBL29225587

SCHEMBL29225587

COc1ccc(/C=C/C(=O)c2c(O)c(OC)c(OC)c(OC)c2OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.68
SLC5A2 P31639 1/20 0.68
MAPT P10636 6/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 3/20 0.67
MAPK1 P28482 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
F3 P13726 3/20 0.60
ABCG2 Q9UNQ0 5/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
P4HB P07237 1/20 0.58
CALM1 P0DP23 1/20 0.58
RAB9A P51151 1/20 0.58
XDH P47989 1/20 0.58
CYP3A4 P08684 3/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL5441725 1.00 SLC5A1 (0.68) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL30989219 0.94 SLC5A1 (0.68) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL29285962 0.94 SLC5A1 (0.68) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL29285957 0.94 SLC5A1 (0.68) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL6845894 0.87 ABCB1 (0.72) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL29929521 0.87 ABCB1 (0.72) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL29906111 0.87 ABCB1 (0.72) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL25337768 0.85 ABCB1 (0.78) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL25952365 0.85 ABCB1 (0.78) SLC5A1SLC5A2MAPTALDH1A1LMNA
SCHEMBL25953127 0.85 ABCB1 (0.66) SLC5A1SLC5A2MAPTALDH1A1LMNA

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-118121649-A Citrus extract, compound, and use thereof for inhibiting novel coronaviruses 丰苗生物科技股份有限公司 2024-06-04 CN disclosed
CN-118121589-A Compounds and their use for inhibiting novel coronaviruses 丰苗生物科技股份有限公司 2024-06-04 CN disclosed