SCHEMBL3219151

SCHEMBL3219151

CCc1cc(O)c(O)c(SCCc2ccco2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 6/20 0.33
POLB P06746 6/20 0.33
HPGD P15428 5/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX12 P18054 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RAB9A P51151 3/20 0.33
USP2 O75604 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TRPA1 O75762 1/20 0.33
NPC1 O15118 2/20 0.32
TRPC5 Q9UL62 1/20 0.32
MAPT P10636 3/20 0.32
RECQL P46063 2/20 0.32
APEX1 P27695 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
SCHEMBL3220106 0.84 HPGD (0.40) HTR2BMEN1KMT2AGAAALDH1A1
SCHEMBL3197695 0.82 HTR2B (0.37) HTR2BMEN1KMT2AGAAALDH1A1
SCHEMBL3214720 0.80 HTR2B (0.43) HTR2BMEN1KMT2AGAAALDH1A1
SCHEMBL3205766 0.78 HPGD (0.35) HTR2BALDH1A1POLBHPGDHSD17B10
SCHEMBL3210530 0.77 HTR2B (0.43) HTR2BMEN1KMT2AALDH1A1POLB
SCHEMBL3195622 0.77 ALDH1A1 (0.38) HTR2BMEN1KMT2AGAAALDH1A1
SCHEMBL3217119 0.77 HTR2B (0.37) HTR2BMEN1KMT2AGAAALDH1A1
SCHEMBL3208066 0.75 MAOA (0.36) HTR2BMEN1KMT2AGAAALDH1A1
SCHEMBL3208215 0.75 ALDH1A1 (0.37) HTR2BMEN1KMT2AGAAALDH1A1
SCHEMBL3209699 0.75 ALDH1A1 (0.37) HTR2BMEN1KMT2AALDH1A1POLB

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