SCHEMBL7701759

SCHEMBL7701759

COC(=O)CC(OC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.52
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.42
KMT2A Q03164 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MMP9 P14780 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL6153580 0.85 ABCB1 (0.51) ABCB1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL29087910 0.84 ABCB1 (0.52) ABCB1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL29087914 0.84 ABCB1 (0.52) ABCB1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL6154183 0.82 ABCB1 (0.48) ABCB1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL6154182 0.82 ABCB1 (0.48) ABCB1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL1549936 0.79 ALDH1A1 (0.64) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL7705289 0.79 ALDH1A1 (0.54) ABCB1ALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL13936261 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ATRPM8
SCHEMBL10010416 0.78 TSHR (0.39) ABCB1KMT2A
SCHEMBL14721367 0.78 ABCB1 (0.45) ABCB1ALDH1A1MAPK1L3MBTL1KMT2A

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-6469193-B1 THREE COMPONENT COUPLINGS OF ALIPHATIC ALCOHOLS, ALKYL HALIDES AND CARBON DIOXIDE IN THE PRESENCE OF CESIUM CARBONATE AND TETRABUTYLAMMONIUM IODIDE UNIVERSITY OF SOUTH FLORIDA 2002-10-22 US disclosed
WO-2000050376-A9 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIV SOUTH FLORIDA (US) 2001-10-11 WO disclosed
WO-2000050376-A2 EFFICIENT SYNTHESIS OF ALKYL CARBONATES UNIVERSITY OF SOUTH FLORIDA (US) 2000-08-31 WO disclosed