SCHEMBL8769586

SCHEMBL8769586

COC(=O)c1cccc(/C=C/c2ccc(OC)c(OC3CCCC3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.58
PDE4D Q08499 8/20 0.58
PDE4A P27815 7/20 0.58
PDE4C Q08493 7/20 0.58
PDE5A O76074 2/20 0.53
P4HB P07237 1/20 0.52
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE1C Q14123 1/20 0.51

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
SCHEMBL8769594 1.00 PDE4B (0.58) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7149569 0.90 PDE4B (0.69) PDE4BPDE4DPDE4APDE4C
SCHEMBL7149565 0.90 PDE4B (0.69) PDE4BPDE4DPDE4APDE4C
SCHEMBL7318009 0.83 PDE4D (0.57) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL8290599 0.83 PDE4D (0.57) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL5309884 0.83 PDE4D (0.67) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL8206531 0.82 PDE4A (0.80) PDE4BPDE4DPDE4APDE4CPDE5A
SCHEMBL7447179 0.81 PDE4B (0.74) PDE4BPDE4DPDE4APDE4C
SCHEMBL7447175 0.81 PDE4B (0.74) PDE4BPDE4DPDE4APDE4C
SCHEMBL7326891 0.80 PDE4B (0.67) PDE4BPDE4DPDE4APDE4C

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-0640070-B1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-09-10 EP claimed