SCHEMBL16720145

SCHEMBL16720145

COc1c[c]cc(O)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.46
PDE4A P27815 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
TP53 P04637 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TSHR P16473 1/20 0.44
CNR2 P34972 2/20 0.40
HK2 P52789 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL733057 0.87 CA1 (0.44) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL16720490 0.83 KDM1A (0.43) TP53CNR2KDM4EALDH1A1HSD17B10
SCHEMBL28451770 0.83 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DCA1
SCHEMBL16719946 0.81 FYN (0.43) CNR2KDM4EALDH1A1HPGDTUBB1
Water SCHEMBL28213288 0.78 CA1 (0.57) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL730845 0.77 ALDH1A1 (0.42) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL732633 0.76 KMT2A (0.39) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL5433427 0.76 CA1 (0.59) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL28162734 0.74 CA1 (0.57) PDE4BPDE4APDE4CPDE4DTP53
SCHEMBL1299477 0.72 MAPT (0.43) TP53CA1CA2TSHRKDM4E

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed