SCHEMBL7866744

SCHEMBL7866744

COC1(OC)CCC(C=O)(c2ccc(OC(F)F)c(OC(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.46
PDE4A P27815 9/20 0.46
PDE4C Q08493 7/20 0.46
PDE4D Q08499 7/20 0.46
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 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
SCHEMBL31574681 0.88 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6357472 0.88 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7419178 0.82 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DBACE1
SCHEMBL15256620 0.78 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DHPGD
SCHEMBL7869820 0.76 PDE4A (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL7866876 0.76 SLC6A4 (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL7864287 0.75 PDE4B (0.75) PDE4BPDE4APDE4CPDE4D
SCHEMBL6351319 0.74 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL7866906 0.73 CASP1 (0.39) PDE4BPDE4APDE4CPDE4DHTT
SCHEMBL6356495 0.72 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DKDM4E

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
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed