SCHEMBL10529641

SCHEMBL10529641

c1cc(CC2CO2)c(CC2CO2)c(Oc2cccc(CC3CO3)c2CC2CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL23094087 0.89 KDM4E (0.37) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL19859435 0.86 ALDH1A1 (0.54) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2778676 0.86 ALDH1A1 (0.39) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL28702790 0.85 ALDH1A1 (0.41) ALDH1A1GLATP53CYP3A4TSHR
Ammonia Solution, Strong SCHEMBL10520162 0.85 ALDH1A1 (0.53) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL3372443 0.85 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6305830 0.85 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL1312619 0.85 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL29992847 0.82 ALDH1A1 (0.45) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL93323 0.82 ALDH1A1 (0.45) ALDH1A1GLATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331055-A1 Methods for producing a resinbonded magnet MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1989-09-06 EP disclosed