SCHEMBL8711399

SCHEMBL8711399

COc1ccc(N2C(=S)c3ccccc3C2OC)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.44
PDE4B Q07343 12/20 0.44
PDE4A P27815 10/20 0.44
PDE4C Q08493 8/20 0.44
PDE3A Q14432 1/20 0.41

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
SCHEMBL8708151 0.87 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CPDE3A
SCHEMBL8710631 0.86 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL8709797 0.77 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL7696958 0.77 PDE4B (0.49) PDE4DPDE4BPDE4APDE4C
SCHEMBL7694104 0.76 RAB9A (0.58) PDE4DPDE4BPDE4APDE4C
SCHEMBL8708075 0.76 SMN1; SMN2 (0.50) PDE4DPDE4BPDE4APDE4C
SCHEMBL8713912 0.76 RAB9A (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL8707836 0.76 PDE4A (0.45) PDE4DPDE4BPDE4APDE4C
SCHEMBL8710488 0.76 PDE4B (0.50) PDE4DPDE4BPDE4APDE4C
Hydrochloric Acid SCHEMBL8707877 0.75 PDE4A (0.44) PDE4DPDE4BPDE4APDE4C

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-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed