SCHEMBL1753650

SCHEMBL1753650

COc1ccccc1O[C@@H]1O[C@H](OC)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
SLC5A2 P31639 4/20 0.46
SLC5A1 P13866 2/20 0.46
TYR P14679 1/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PTGS1 P23219 1/20 0.43
SNCA P37840 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
SLC28A3 Q9HAS3 2/20 0.41
CA13 Q8N1Q1 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL5569000 0.83 SLC5A2 (0.52) ACHESLC5A2SLC5A1TYRCA12
SCHEMBL9806206 0.83 ACHE (0.69) ACHESLC5A2SLC5A1TYRCA12
SCHEMBL10307314 0.83 ACHE (0.69) ACHESLC5A2SLC5A1TYRCA12
SCHEMBL15846873 0.83 ACHE (0.69) ACHESLC5A2SLC5A1TYRCA12
SCHEMBL7744549 0.83 ACHE (0.69) ACHESLC5A2SLC5A1TYRCA12
SCHEMBL15846875 0.83 ACHE (0.69) ACHESLC5A2SLC5A1TYRCA12
SCHEMBL29373662 0.80 KDM1A (0.53) ACHESLC5A2SLC5A1TYRPTGS1
SCHEMBL93243 0.74 CA1 (0.54) CA12CA1CA7CA9CA2
SCHEMBL17729111 0.73 ACHE (0.48) ACHESLC5A2SLC5A1TYRPTGS1
SCHEMBL13929525 0.73 M6PR (0.46) CA1CA9CA2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158372-B2 Agonists of a bitter taste receptor and uses thereof DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE (DE) 2012-04-17 US disclosed