SCHEMBL7320173

SCHEMBL7320173

COc1ccc(C(O)(Cc2cc(C)ccn2)c2ccccc2)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.44
PDE4D Q08499 8/20 0.44
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
EPHX2 P34913 1/20 0.39

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
SCHEMBL7320846 0.86 PDE4A (0.47) PDE4APDE4DPDE4BPDE4C
SCHEMBL7319546 0.85 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL7322573 0.83 PDE4A (0.43) PDE4APDE4DPDE4BPDE4C
SCHEMBL8688876 0.83 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL6508090 0.82 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL7309852 0.82 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL7907983 0.80 PDE4A (0.50) PDE4APDE4DPDE4BPDE4CPDE5A
SCHEMBL7915910 0.79 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL7317902 0.77 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6585192 0.77 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CPDE5A

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 5 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
EP-0475444-B1 Use of 4-fluoro-pyrimidine derivatives as components for ferroelectric liquid crystal mixtures and process to prepare these compounds HOECHST AG (DE) 1999-07-14 EP disclosed
EP-0626957-B1 STYRIL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 1999-03-03 EP disclosed
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 US disclosed
US-5580888-A Styryl derivatives as anti-inflammatory agents CELLTECH THERAPEUTICS LIMITED (GB) 1996-12-03 US disclosed