SCHEMBL3220106

SCHEMBL3220106

Cc1cc(O)c(O)c(SCCc2ccco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
POLB P06746 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
HTR2B P41595 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
ALOX12 P18054 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL3197695 0.84 HTR2B (0.37) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3219151 0.84 HTR2B (0.35) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3214720 0.82 HTR2B (0.43) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3195622 0.82 ALDH1A1 (0.38) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3210530 0.80 HTR2B (0.43) HPGDPOLBALDH1A1TDP1RECQL
SCHEMBL3208215 0.80 ALDH1A1 (0.37) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3217119 0.79 HTR2B (0.37) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3207680 0.79 ALDH1A1 (0.36) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3218390 0.78 GAA (0.38) HPGDPOLBALDH1A1TDP1APEX1
SCHEMBL3214279 0.77 ALDH1A1 (0.39) HPGDPOLBALDH1A1TDP1APEX1

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