SCHEMBL6202883

SCHEMBL6202883

COc1cccc(C(O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ACHE P22303 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ENPP2 Q13822 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
CASR P41180 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL17295984 0.88 AOC3 (0.56) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL11604883 0.83 AOC3 (0.62) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2093768 0.83 AOC3 (0.59) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL2087869 0.83 AOC3 (0.59) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6204640 0.83 RXRA (0.44) AOC3L3MBTL1ACHEALDH1A1
SCHEMBL6204184 0.82 TP53 (0.49) AOC3L3MBTL1TSHRMAPK1ALDH1A1
SCHEMBL343726 0.82 AOC3 (0.57) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL43735 0.82 AOC3 (0.57) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL43520 0.82 AOC3 (0.57) AOC3L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL6204866 0.80 AOC3 (0.56) AOC3L3MBTL1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1671662-A Piperidine derivatives, process for their preparation and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-09-21 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
EP-0787231-B1 POLYOXOMETALATE DELIGNIFICATION AND BLEACHING US AGRICULTURE (US) 2003-05-28 EP disclosed
EP-0787231-A4 US AGRICULTURE (US) 1997-08-06 EP disclosed
EP-0787231-A1 POLYOXOMETALATE DELIGNIFICATION AND BLEACHING THE UNITED STATES OF AMERICA as represented by THE SECRETARY OF AGRICULTURE (US) 1997-08-06 EP disclosed
US-5549789-A MIXING WOOD PULP WITH POLYOXOMETALLATE SOLUTION, HEATING IN PRESENCE OF GASEOUS OXIDANT TO DEGRADE DISSOLVED LIGNIN AND POLYSACCHARIDE FRAGMENTS TO VOLATILE ORGANIC COMPOUNDS AND WATER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1996-08-27 US disclosed
WO-1995026438-A1 POLYOXOMETALATE DELIGNIFICATION AND BLEACHING THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT. OF AGRICULTURE (US) 1995-10-05 WO disclosed