SCHEMBL7309595

SCHEMBL7309595

CC(C)OC(=O)CN1Cc2ccc(OCCCC(=O)NN3CCCC4CCCCC43)cc2N=C1NC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.45
PDE4B Q07343 15/20 0.45
PDE4C Q08493 15/20 0.45
PDE4D Q08499 15/20 0.45
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
HSD11B1 P28845 2/20 0.35
HSD17B1 P14061 1/20 0.35

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
SCHEMBL7314807 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310341 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307752 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321727 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310398 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307255 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7317879 0.75 PDE4A (0.56) PDE4APDE4BPDE4CPDE4D
SCHEMBL10647542 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7309071 0.72 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7311541 0.72 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D

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