SCHEMBL7384154

SCHEMBL7384154

COC(=O)C(=Cc1ccc(OC2CCCC2)c(OC)c1)C(=Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.47
PDE4A P27815 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE3A Q14432 1/20 0.44
MAPT P10636 1/20 0.43
NTSR1 P30989 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PDE5A O76074 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7384149 1.00 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7379304 0.96 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7379302 0.96 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7379306 0.96 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7465654 0.92 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7465642 0.92 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7470157 0.89 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7470164 0.89 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DGAA
SCHEMBL7465061 0.83 PDE4A (0.48) PDE4BPDE4APDE4CPDE4D
Hydrochloric Acid SCHEMBL7972152 0.83 PDE4A (0.42) PDE4BPDE4APDE4CPDE4D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10287622-A None JP 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
JP-H10287622-A BUTADIENE DERIVATIVE AND ITS PRODUCTION TANABE SEIYAKU CO LTD 1998-10-27 JP disclosed
WO-1997036864-A1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO., LTD. (JP) 1997-10-09 WO disclosed