SCHEMBL7331305

SCHEMBL7331305

COc1ccc(-c2cc([C@@H](C)O)ccc2CCc2ccncc2)cc1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.54
PDE4D Q08499 2/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52

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
SCHEMBL7331316 1.00 PDE4A (0.54) PDE4APDE4DPDE4BPDE4C
SCHEMBL27657387 0.83 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL28062431 0.82 PDE4D (0.57) PDE4APDE4DPDE4BPDE4C
SCHEMBL8659545 0.81 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL6882017 0.79 PDE4A (0.56) PDE4APDE4DPDE4BPDE4C
SCHEMBL7334260 0.79 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL8689119 0.77 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7362379 0.77 PDE4A (0.86) PDE4APDE4DPDE4BPDE4C
SCHEMBL7331310 0.77 PDE4A (0.86) PDE4APDE4DPDE4BPDE4C
SCHEMBL7370815 0.77 PDE4A (0.86) PDE4APDE4DPDE4BPDE4C

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
US-5710160-A PHOSPHODIESTERASE IV INHIBITORS FOR TREATMENT OF ASTHMA BY RAISING LEVELS OF CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE MERCK FROSST CANADA, INC. (CA) 1998-01-20 US disclosed