SCHEMBL2830346

SCHEMBL2830346

Cc1cc(CCc2cc(C)c(OC(C)OCC3CO3)c(C)c2)cc(C)c1OC(C)OCC1CO1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2836026 0.91 ALDH1A1 (0.34) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2829252 0.88 ALDH1A1 (0.36) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2829882 0.87 ALDH1A1 (0.32) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2831151 0.84 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2836744 0.84 TSHR (0.44) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2835746 0.83 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1A
SCHEMBL2833479 0.80 ALDH1A1 (0.31) ALDH1A1TP53TSHRHIF1A
SCHEMBL2830487 0.79 ALDH1A1 (0.30) ALDH1A1TP53TSHRHIF1A
SCHEMBL2831069 0.78 ALDH1A1 (0.32) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL2832821 0.77 ALDH1A1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed