SCHEMBL28752108

SCHEMBL28752108

CCOC(=O)c1ccc(OC)cc1C(=O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA2 P00918 4/20 0.54
CA7 P43166 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
CA1 P00915 3/20 0.54
ESR2 Q92731 2/20 0.54
ESR1 P03372 1/20 0.54
MAPT P10636 3/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 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

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
SCHEMBL27618684 0.88 TSHR (0.59) ESR2ESR1MAPTHTTNPSR1
SCHEMBL27618706 0.86 MAPT (0.58) CA12CA2CA7CA9CA14
SCHEMBL27600154 0.85 TSHR (0.56) ESR1MAPTALDH1A1LMNAMAPK1
SCHEMBL27600147 0.85 TSHR (0.56) ESR1MAPTALDH1A1LMNAMAPK1
SCHEMBL27600146 0.85 ALDH1A1 (0.58) MAPTHTTNPSR1ALDH1A1LMNA
SCHEMBL28275232 0.84 HPGD (0.60) CA12CA2CA7CA9CA14
SCHEMBL27618692 0.82 ALDH1A1 (0.48) ESR2MAPTHTTNPSR1ALDH1A1
SCHEMBL27618688 0.81 ALDH1A1 (0.63) MAPTHTTNPSR1ALDH1A1LMNA
SCHEMBL27600153 0.81 CA12 (0.54) CA12CA2CA7CA9CA14
SCHEMBL17779153 0.81 CA12 (0.73) CA12CA2CA7CA9CA14

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