SCHEMBL3217119

SCHEMBL3217119

Oc1cc(SCCc2ccco2)c(SCCc2ccco2)c(O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 8/20 0.35
HPGD P15428 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
POLB P06746 6/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RECQL P46063 2/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
PTPRS Q13332 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL3208066 0.90 MAOA (0.36) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3214720 0.86 HTR2B (0.43) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3210543 0.86 ALDH1A1 (0.37) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3209699 0.81 ALDH1A1 (0.37) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3208215 0.81 ALDH1A1 (0.37) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3197695 0.80 HTR2B (0.37) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3218390 0.79 GAA (0.38) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3220106 0.79 HPGD (0.40) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3205766 0.79 HPGD (0.35) HTR2BMAOAMAOBALDH1A1HPGD
SCHEMBL3210530 0.78 HTR2B (0.43) HTR2BMAOAMAOBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100040733-A1 AROMA STABILIZING METHOD NESTEC S.A. (CH) 2010-02-18 US disclosed
EP-2066182-A1 AROMA STABILIZING METHOD NESTEC S.A. (CH) 2009-06-10 EP disclosed
WO-2008031848-A1 AROMA STABILIZING METHOD NESTEC S.A. (CH) 2008-03-20 WO disclosed