SCHEMBL3208066

SCHEMBL3208066

Oc1c(SCCc2ccco2)cc(SCCc2ccco2)c(SCCc2ccco2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 8/20 0.36
HPGD P15428 7/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
HTR2B P41595 1/20 0.35
POLB P06746 5/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PTPN7 P35236 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 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
SCHEMBL3217119 0.90 HTR2B (0.37) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3210543 0.87 ALDH1A1 (0.37) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3208215 0.87 ALDH1A1 (0.37) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3205766 0.85 HPGD (0.35) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3195622 0.84 ALDH1A1 (0.38) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3214720 0.81 HTR2B (0.43) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3209699 0.79 ALDH1A1 (0.37) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3197695 0.78 HTR2B (0.37) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3220106 0.77 HPGD (0.40) MAOAMAOBALDH1A1HPGDTDP1
SCHEMBL3214279 0.77 ALDH1A1 (0.39) MAOAMAOBALDH1A1HPGDTDP1

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