SCHEMBL28098155

SCHEMBL28098155

CCOC(=O)C(C(C)(C)O)C1(C)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 4/20 0.34
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL7207337 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL11477925 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTNPSR1HPGD
SCHEMBL14899077 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTNPSR1HSD17B10
SCHEMBL7208245 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1HSD17B10L3MBTL1
SCHEMBL8028102 0.71 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL8277962 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTNPSR1L3MBTL1
SCHEMBL12937744 0.70 CYP1A2 (0.44) ALDH1A1KDM4EMAPTHPGD
SCHEMBL22992426 0.68 ALOX15 (0.37) ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL22837840 0.68 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHSD17B10L3MBTL1
SCHEMBL28139665 0.68 CYP2D6 (0.39) ALDH1A1KDM4EHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105949874-A BRIGHTENING INK COMPOSITION FOR PRINTING, PAPER CONTAINER MATERIAL USING THE BRIGHTENING INK COMPOSITION, AND HEAT INSULATING FOAMED PAPER CONTAINER 日清食品控股株式会社 2016-09-21 CN disclosed