SCHEMBL7384113

SCHEMBL7384113

COc1cc(C(C)=O)ccc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.62
PDE4D Q08499 10/20 0.62
MAPK14 Q16539 1/20 0.62
PDE4A P27815 8/20 0.59
PDE4C Q08493 8/20 0.59
PDE5A O76074 1/20 0.56
PDE1A P54750 1/20 0.56
PDE1B Q01064 1/20 0.56
PDE1C Q14123 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL128167 0.94 PDE4B (0.70) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7176867 0.91 PDE4B (0.66) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL6799815 0.88 PDE4B (0.71) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL14003536 0.88 PDE4B (0.61) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL7364684 0.87 PDE4D (0.60) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL16544966 0.85 PDE4B (0.67) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL23901634 0.84 PDE4B (0.57) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL8888177 0.84 CYP2D6 (0.61) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL16544973 0.84 MAPT (0.59) PDE4BPDE4DMAPK14PDE4APDE4C
SCHEMBL15030530 0.83 PDE4B (0.50) PDE4BPDE4DMAPK14PDE4APDE4C

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
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
EP-0889879-B1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO (JP) 2002-06-12 EP disclosed
US-6248743-B1 ANTITHROMBOTIC AGENTS EFFECTIVE TO INHIBIT THE PRODUCTION OF TYPE 1 PLASMINOGEN ACTIVATOR INHIBITOR (PAI-1) TANABE SEIYAKU CO., LTD. (JP) 2001-06-19 US disclosed
EP-0889879-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1999-01-13 EP disclosed
WO-1997036864-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1997-10-09 WO disclosed