SCHEMBL1001383

SCHEMBL1001383

CC(C)(C)c1c(O)ccc(CO)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLF10 Q13118 1/20 0.43
PKM P14618 1/20 0.34
ADRB2 P07550 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
ADRB1 P08588 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL1861164 0.85 ESR1 (0.39) KLF10CYP2D6TDP1ALDH1A1ALOX15
SCHEMBL932105 0.82 KLF10 (0.47) KLF10PKMADRB2CYP2D6CYP1A2
SCHEMBL5143015 0.80 GABRA1 (0.43) CYP2D6CYP1A2NFKB1HIF1ATDP1
SCHEMBL15819966 0.80 ALDH1A1 (0.47) CYP2D6CYP1A2TSHRTDP1LMNA
SCHEMBL21956067 0.79 ALDH1A1 (0.39) PKMCYP2D6CYP1A2TSHRTDP1
SCHEMBL7506307 0.79 TYR (0.46) TSHRTDP1HTTNPC1RAB9A
SCHEMBL107304 0.76 TYR (0.51) TSHRHIF1ATDP1LMNAHTT
SCHEMBL2721852 0.74 ESR1 (0.39) PKMCYP1A2TSHRHIF1ATDP1
SCHEMBL10715136 0.72 GABRA1 (0.41) KLF10ADRB2CYP2D6TSHRHIF1A
SCHEMBL6561982 0.71 ALDH1A1 (0.37) KLF10PKMCYP2D6CYP1A2TSHR

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-2448431-A2 OMEGA-3 FATTY ACID ENRICHED BAKED FOODS AND BAR COMPOSITIONS Solae, LLC (US) 2012-05-09 EP disclosed
WO-2011002802-A2 OMEGA-3 FATTY ACID ENRICHED BAKED FOODS AND BAR COMPOSITIONS SOLAE, LLC (US) 2011-01-06 WO disclosed