SCHEMBL8769611

SCHEMBL8769611

CC=C(c1ccncc1)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.54
PDE4B Q07343 9/20 0.53
PDE4D Q08499 8/20 0.53
PDE4C Q08493 7/20 0.53
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL8862774 0.99 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CS1PR1
Nitrous Acid SCHEMBL7175057 0.94 PDE4B (0.52) PDE4APDE4BPDE4DPDE4CS1PR1
SCHEMBL7323473 0.89 PDE4A (0.51) PDE4APDE4BPDE4DPDE4CS1PR1
SCHEMBL7323469 0.89 PDE4A (0.51) PDE4APDE4BPDE4DPDE4CS1PR1
SCHEMBL4825142 0.87 PDE4B (0.55) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL4826823 0.87 PDE4A (0.59) PDE4APDE4BPDE4DPDE4CS1PR1
SCHEMBL8269320 0.87 PDE4D (0.61) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL7314291 0.86 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CS1PR1
SCHEMBL4825447 0.86 PDE4B (0.56) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL7310472 0.85 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CS1PR1

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 2 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 disclosed
US-5633257-A PHOSPHODIESTERASE INHIBITOR CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-27 US disclosed