SCHEMBL7377577

SCHEMBL7377577

COC(=O)C(/C(=C\c1ccccc1)C(N)=O)=C(\C)c1ccc(OC2CCCC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.51
PDE4B Q07343 9/20 0.51
PDE4A P27815 8/20 0.51
PDE4C Q08493 8/20 0.51
MAPK14 Q16539 1/20 0.47
PDE5A O76074 2/20 0.46
EPHX2 P34913 1/20 0.44

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
SCHEMBL7468632 1.00 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7468624 1.00 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CMAPK14
SCHEMBL7465654 0.84 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL7465642 0.84 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL7464347 0.80 TNFRSF1A (0.48)
SCHEMBL7464113 0.80 TNFRSF1A (0.48)
SCHEMBL7464120 0.80 TNFRSF1A (0.48)
SCHEMBL7384149 0.77 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL7384154 0.77 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CPDE5A
SCHEMBL7379306 0.75 PDE4B (0.52) PDE4DPDE4BPDE4APDE4CPDE5A

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-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