SCHEMBL27600153

SCHEMBL27600153

COc1ccc(C(=O)OC(C)C)c(C(=O)c2ccc(O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
MAPT P10636 4/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
PGR P06401 1/20 0.52
CYP2D6 P10635 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL27618692 0.87 ALDH1A1 (0.48) MAPTHTTNPSR1ALDH1A1HPGD
SCHEMBL27618706 0.86 MAPT (0.58) CA12CA1CA2CA7CA9
SCHEMBL27618691 0.85 LMNA (0.55) MAPTHTTNPSR1ALDH1A1HPGD
SCHEMBL27618688 0.81 ALDH1A1 (0.63) MAPTHTTNPSR1ALDH1A1HPGD
SCHEMBL28752108 0.81 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL16687953 0.81 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL28786075 0.80 ALDH1A1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL6171166 0.79 HPGD (0.79) MAPTHTTNPSR1ALDH1A1HPGD
SCHEMBL28811495 0.79 ALDH1A1 (0.56) MAPTHTTNPSR1ALDH1A1HPGD
SCHEMBL13229010 0.78 LMNA (0.69) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100360325-C Multicolor thermal recording medium JUJO PAPER CO LTD (JP) 2008-01-09 CN disclosed
CN-1638973-A multicolor thermosensitive recording medium JUJO PAPER CO LTD (JP) 2005-07-13 CN disclosed