SCHEMBL7316580

SCHEMBL7316580

CCOC(=O)NC1=Nc2cc(OCCCC(=O)NN3CCOCC3)ccc2CN1CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
LIPE Q05469 3/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
BRD4 O60885 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOD1 Q9Y239 1/20 0.36

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
SCHEMBL7321538 0.92 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLIPE
SCHEMBL7320678 0.91 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DLIPE
SCHEMBL7320570 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLIPE
SCHEMBL7318948 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLIPE
SCHEMBL7310461 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7318662 0.85 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7321161 0.83 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7312716 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316947 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DLIPE
SCHEMBL7321093 0.81 PDE3B (0.40) PDE4APDE4BPDE4CPDE4DLIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4739056-A ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-04-19 US disclosed