SCHEMBL7320078

SCHEMBL7320078

CC(C)COC(=O)CN1Cc2cccc(OCCCC(=O)N(C)c3ccccc3)c2N=C1NC(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.36
PDE4B Q07343 8/20 0.36
PDE4C Q08493 8/20 0.36
PDE4D Q08499 8/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NAMPT P43490 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL7311966 0.90 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307685 0.88 PPIA (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307830 0.87 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316546 0.84 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316080 0.83 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7313053 0.82 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7309755 0.80 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314566 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7311053 0.80 PDE3B (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314037 0.77 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B

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