SCHEMBL7319448

SCHEMBL7319448

COc1ccc(C(O)c2cccs2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.52
CNR2 P34972 1/20 0.51
PDE4B Q07343 4/20 0.50
PDE4D Q08499 4/20 0.50
PDE4C Q08493 3/20 0.50

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
SCHEMBL7960558 0.84 PDE4A (0.46) PDE4APDE4BPDE4DPDE4C
SCHEMBL5567417 0.81 PDE4A (0.67) PDE4APDE4BPDE4DPDE4C
SCHEMBL7042502 0.79 PDE4A (0.76) PDE4APDE4BPDE4DPDE4C
SCHEMBL5610531 0.78 PDE4A (0.59) PDE4APDE4BPDE4DPDE4C
Hydrochloric Acid SCHEMBL7907751 0.78 PDE4D (0.76) PDE4APDE4BPDE4DPDE4C
SCHEMBL7317788 0.77 PDE4A (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL7908614 0.77 PDE4A (0.51) PDE4APDE4BPDE4DPDE4C
SCHEMBL7175088 0.76 PDE4A (0.65) PDE4APDE4BPDE4DPDE4C
SCHEMBL7357576 0.75 PDE4A (0.72) PDE4APDE4BPDE4DPDE4C
SCHEMBL13799356 0.75 PDE4A (0.61) PDE4APDE4BPDE4DPDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580888-A Styryl derivatives as anti-inflammatory agents CELLTECH THERAPEUTICS LIMITED (GB) 1996-12-03 US disclosed
EP-0626957-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1994-12-07 EP disclosed
WO-1994014800-A1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1994-07-07 WO disclosed