SCHEMBL7524693

SCHEMBL7524693

O=CCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
DUT P33316 2/20 0.45
TK2 O00142 7/20 0.42
TK1 P04183 6/20 0.42
HRH4 Q9H3N8 1/20 0.36
TSHR P16473 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A1 P30531 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 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
SCHEMBL5040791 0.79 MAPK1 (0.50) KIF11ALOX15CYP2C19ALDH1A1MAPK1
SCHEMBL9039609 0.79 KIF11 (0.57) KIF11DUTTK2TK1HRH4
SCHEMBL11303069 0.78 KIF11 (0.50) KIF11DUTTK2TK1HRH4
SCHEMBL2856185 0.78 KIF11 (0.50) KIF11DUTTK2TK1HRH4
SCHEMBL8868624 0.76 KIF11 (0.53) KIF11DUTTK2TK1HRH4
SCHEMBL15818117 0.75 KIF11 (0.37) KIF11DUTTK2TK1TSHR
SCHEMBL28250787 0.75 KIF11 (0.47) KIF11DUTTK2TK1HRH4
SCHEMBL12268294 0.75 DUT (0.50) KIF11DUTTK2TK1HRH4
SCHEMBL913276 0.75 DUT (0.50) KIF11DUTTK2TK1HRH4
SCHEMBL913275 0.75 DUT (0.50) KIF11DUTTK2TK1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970147-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-1-((1S,4R, 5S)-2-FLUORO-4,5-DIHYDROXY-3-HYDROXYMETHYL-CYCLOPENT-2-ENYL)-1H-PYRIMIDIN-2-ONE Rexahn Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014145807-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-1-((1S,4R, 5S)-2-FLUORO-4,5-DIHYDROXY-3-HYDROXYMETHYL-CYCLOPENT-2-ENYL)-1H-PYRIMIDIN-2-ONE REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
EP-1173397-A1 STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS PPG-Sipsy S.C.A. (FR) 2002-01-23 EP disclosed
WO-2000066519-A1 STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS PPG-SIPSY S.C.A. (FR) 2000-11-09 WO disclosed