SCHEMBL727500

SCHEMBL727500

CCOC(=O)C(OC(C)C)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
TRPA1 O75762 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PIN1 Q13526 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
CAD P27708 1/20 0.33

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
SCHEMBL423710 0.98 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
Ammonia Solution, Strong SCHEMBL27823369 0.98 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
Acetic Acid SCHEMBL28532720 0.91 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL12313561 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4334264 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4334271 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14039049 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14504438 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11803106 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL13555010 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726491-B2 2011-07-20 JP claimed
EP-1644384-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR Bristol-Myers Squibb Company (US) 2006-04-12 EP claimed
JP-2006509800-A 2006-03-23 JP claimed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO claimed
CN-108603033-A Heat conductivity silicon-ketone composition and semiconductor device 信越化学工业株式会社 2018-09-28 CN disclosed
CN-100520602-C Electrophotographic photoreceptor, process cartridge and image-forming apparatus FUJITSU XEROX CORP (JP) 2009-07-29 CN disclosed
CN-100495220-C Charge-transporting compound, electrophotographic photoreceptor, image-forming apparatus, and process cartridge FUJI XEROX CO LTD (JP) 2009-06-03 CN disclosed
CN-1991595-A Electrophotographic photoreceptor, process cartridge and image-forming apparatus FUJI XEROX CO LTD (JP) 2007-07-04 CN disclosed
CN-1841215-A Charge-transporting compound, electrophotographic photoreceptor, image-forming apparatus, and process cartridge FUJI XEROX CO LTD (JP) 2006-10-04 CN disclosed