SCHEMBL7900831

SCHEMBL7900831

CCOC(=O)C(c1ccncc1)C(c1ccc(C(F)(F)F)cc1)c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.52
PDE4D Q08499 2/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48

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
SCHEMBL7911026 0.91 PDE4A (0.59) PDE4APDE4DPDE4BPDE4C
SCHEMBL8925164 0.90 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL7908614 0.83 PDE4A (0.51) PDE4APDE4DPDE4BPDE4C
SCHEMBL6755284 0.76 PDE4A (0.84) PDE4APDE4DPDE4BPDE4C
SCHEMBL8572806 0.75 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL7911101 0.75 PDE4A (0.82) PDE4APDE4DPDE4BPDE4C
Formic Acid SCHEMBL8693256 0.75 PDE4A (0.71) PDE4APDE4DPDE4BPDE4C
SCHEMBL4818633 0.73 PDE4A (0.72) PDE4APDE4DPDE4BPDE4C
SCHEMBL7900923 0.73 PDE4A (0.66) PDE4APDE4DPDE4BPDE4C
SCHEMBL7357352 0.72 PDE4B (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626939-B1 TRI-SUBSTITUTED PHENYL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2001-11-07 EP disclosed
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 US disclosed