SCHEMBL20064223

SCHEMBL20064223

Fc1ccc(OC2CCC2)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MPI P34949 1/20 0.47
FFAR4 Q5NUL3 1/20 0.39
PDE4D Q08499 4/20 0.39
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
AR P10275 2/20 0.38
SLC40A1 Q9NP59 1/20 0.37
COMT P21964 1/20 0.37
MCHR1 Q99705 2/20 0.37
KCNH2 Q12809 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL3792388 0.87 SLC6A2 (0.48) KDM4EL3MBTL1MPIALOX5APFEN1
SCHEMBL21222053 0.79 KDM4E (0.44) KDM4EL3MBTL1MPIARSLC40A1
SCHEMBL20064220 0.79 KDM4E (0.44) KDM4EL3MBTL1MPIARSLC40A1
SCHEMBL20554735 0.78 MCHR1 (0.48) KDM4EL3MBTL1PDE4DALOX5APFEN1
SCHEMBL20944544 0.76 KDM4E (0.49) KDM4EL3MBTL1PDE4DPDE4APDE4B
SCHEMBL30744993 0.76 KDM4E (0.49) KDM4EL3MBTL1PDE4DPDE4APDE4B
SCHEMBL20064284 0.76 KDM4E (0.42) KDM4EL3MBTL1MPIPDE4DPDE4A
SCHEMBL23212187 0.76 KDM4E (0.41) KDM4EL3MBTL1PDE4DPDE5APDE4A
SCHEMBL31134074 0.76 HSP90AA1 (0.50) KDM4EPDE4DARMCHR1
SCHEMBL31134071 0.76 KDM4E (0.41) KDM4EL3MBTL1PDE4DPDE5APDE4A

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
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed