SCHEMBL8714342

SCHEMBL8714342

CC(C)OC(=O)Cc1cccc(OCc2ccccc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
CFD P00746 3/20 0.47
F11 P03951 3/20 0.47
TPSB2 P20231 3/20 0.47
PTGER1 P34995 5/20 0.46
PTGER4 P35408 4/20 0.46
PTGER3 P43115 4/20 0.46
PTGER2 P43116 4/20 0.46
FOLH1 Q04609 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
F7 P08709 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
LTA4H P09960 1/20 0.43
MAPK14 Q16539 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL11094009 0.83 PTGER1 (0.61) CFDF11TPSB2PTGER1PTGER4
SCHEMBL8717352 0.81 TSHR (0.50) TSHRCFDF11TPSB2PTGER1
SCHEMBL11092098 0.80 CFD (0.51) CFDF11TPSB2PTGER1PTGER4
SCHEMBL6599999 0.77 TSHR (0.54) TSHRL3MBTL1MAPTLTA4H
Hydrochloric Acid SCHEMBL28288311 0.74 MAPK1 (0.46) CFDF11TPSB2PTGER1PTGER4
SCHEMBL22654317 0.73 ABCB11 (0.54) CFDF11TPSB2PTGER1PTGER4
SCHEMBL873430 0.73 TSHR (1.00) TSHRL3MBTL1MAPTMAPK1
SCHEMBL2988197 0.73 L3MBTL1 (0.56) CFDF11TPSB2PTGER1PTGER4
SCHEMBL31757763 0.73 L3MBTL1 (0.56) CFDF11TPSB2PTGER1PTGER4
SCHEMBL11828242 0.72 MAPT (0.64) TDP1L3MBTL1MAPTMAPK1LTA4H

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
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed