SCHEMBL6454243

SCHEMBL6454243

O=CCCC1CCC2CC(c3ccc(OC(F)F)c(F)c3)CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
KDM1A O60341 4/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL6454239 1.00 PDE4B (0.34) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL6461480 0.90 PDE4B (0.32) PDE4BKDM1A
SCHEMBL6461478 0.90 PDE4B (0.32) PDE4BKDM1A
SCHEMBL6454371 0.89 KDM1A (0.32) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL6454362 0.89 KDM1A (0.32) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL6454366 0.89 KDM1A (0.32) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL6450997 0.88 KDM1A (0.44) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL6450994 0.88 KDM1A (0.44) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL6459659 0.87 KDM1A (0.36) PDE4BPDE4APDE4CPDE4DKDM1A
SCHEMBL6459654 0.87 KDM1A (0.36) PDE4BPDE4APDE4CPDE4DKDM1A

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed