SCHEMBL20064602

SCHEMBL20064602

Cc1cc(OC2CCC2)c2occc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
HTR6 P50406 1/20 0.47
SYK P43405 1/20 0.37
NMT1 P30419 1/20 0.34
CSNK2A1 P68400 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
KMO O15229 1/20 0.33
MAOB P27338 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL20064615 0.76 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL806505 0.75 ALDH1A1 (0.47) PDE4AHTR6MAOB
SCHEMBL3956231 0.70 HTR6 (0.49) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL28158264 0.67 LMNA (0.41) PDE4APDE4BPDE4CPDE4DCSNK2A1
SCHEMBL2056246 0.67 CYP1A2 (0.40) PDE4ACSNK2A1MAOB
SCHEMBL13678433 0.66 CSNK2A1 (0.55) SYKCSNK2A1KMOFPR2
SCHEMBL16440160 0.66 ACHE (0.59) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL20204758 0.66 SYK (0.48) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL4363589 0.66 PDE4B (0.46) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL20064205 0.65 ACHE (0.42) PDE4A

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