SCHEMBL1389074

SCHEMBL1389074

COc1ccc(C=Cc2ccncn2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.52
PDE4A P27815 4/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE4D Q08499 3/20 0.49
PDE4C Q08493 1/20 0.49
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
APP P05067 2/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL1389073 1.00 PDE4B (0.52) PDE4BPDE4AALDH1A1MAPTHPGD
SCHEMBL1388172 0.86 ALDH1A1 (0.68) PDE4BPDE4AALDH1A1MAPTHPGD
SCHEMBL1389060 0.86 ALDH1A1 (0.68) PDE4BPDE4AALDH1A1MAPTHPGD
SCHEMBL1388171 0.86 ALDH1A1 (0.68) PDE4BPDE4AALDH1A1MAPTHPGD
SCHEMBL7316971 0.85 PDE4B (0.51) PDE4BPDE4AALDH1A1MAPTHPGD
SCHEMBL7784010 0.85 PDE4B (0.51) PDE4BPDE4AALDH1A1MAPTHPGD
SCHEMBL1388242 0.84 PDE4A (0.54) PDE4BPDE4AALDH1A1PDE4DPDE4C
SCHEMBL1388244 0.84 PDE4A (0.54) PDE4BPDE4AALDH1A1PDE4DPDE4C
SCHEMBL8481926 0.81 PDE4B (0.55) PDE4BPDE4AALDH1A1MAPTHPGD
SCHEMBL7316150 0.80 PDE4B (0.52) PDE4BPDE4AALDH1A1MAPTPDE4D

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 8 patents. 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
JP-H08501801-A 1996-02-27 JP claimed
EP-0640070-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS. CELLTECH THERAPEUTICS LTD (GB) 1995-03-01 EP claimed
WO-1994020455-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-09-15 WO claimed
EP-0640070-B1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-09-10 EP disclosed
US-5633257-A PHOSPHODIESTERASE INHIBITOR CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-27 US disclosed
EP-0640070-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS. CELLTECH THERAPEUTICS LTD (GB) 1995-03-01 EP disclosed
WO-1994020455-A1 STYRYL DERIVATIVES, THEIR PREPARATION AND USE AS PDE-IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-09-15 WO disclosed