SCHEMBL8767616

SCHEMBL8767616

Fc1cc(CC[C@H]2CC[C@H]([C@H]3OC[C@H](C4CCCC4)CO3)CC2)ccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
PDE4D Q08499 4/20 0.34
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8767619 1.00 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767612 1.00 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767319 0.90 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767094 0.86
SCHEMBL8767106 0.86
SCHEMBL8767100 0.86
SCHEMBL8767318 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DHCRTR1
SCHEMBL8767274 0.84 MEN1 (0.36) MEN1KMT2A
SCHEMBL8767281 0.84 MEN1 (0.36) MEN1KMT2A
SCHEMBL8767269 0.84 MEN1 (0.36) MEN1KMT2A

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-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed