SCHEMBL6025409

SCHEMBL6025409

CCOC(=O)C(COCc1ccccc1OCc1ccccc1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
BRD4 O60885 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
MMP8 P22894 1/20 0.42
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL17783287 0.79 MMP8 (0.55) L3MBTL1LMNATDP1MMP8
SCHEMBL6692434 0.78 HTR1A (0.53) L3MBTL1LMNATDP1MAPTMAPK1
SCHEMBL11130633 0.77 ABCB1 (0.49) L3MBTL1LMNATDP1MAPTHTT
SCHEMBL28454623 0.76 L3MBTL1 (0.50) L3MBTL1LMNATDP1MAPTMAPK1
SCHEMBL10647194 0.75 MTNR1A (0.55) L3MBTL1LMNATDP1MAPK1HTR1A
SCHEMBL3420132 0.75 ALDH1A1 (0.66) L3MBTL1LMNATDP1MAPTMAPK1
SCHEMBL28473178 0.75 MME (0.47) L3MBTL1LMNATDP1MAPTMAPK1
SCHEMBL30011427 0.75 MME (0.47) L3MBTL1LMNATDP1MAPTMAPK1
SCHEMBL10758587 0.75 HTR1A (0.56) GAABRD4HTR1ADRD2PTGER1
SCHEMBL27541825 0.74 PPARA (0.50) L3MBTL1LMNATDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723121-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2006-11-22 EP disclosed
WO-2005082864-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed