SCHEMBL7314807

SCHEMBL7314807

CC(C)OC(=O)CN1Cc2ccc(OCCCC(=O)NN3CCCC4CCCCC43)cc2N=C1NC(=O)NCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.42
PDE4B Q07343 11/20 0.42
PDE4C Q08493 11/20 0.42
PDE4D Q08499 11/20 0.42
AURKA O14965 4/20 0.36
AURKB Q96GD4 4/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7309595 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7310341 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307255 0.90 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7321727 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310398 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7307752 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7314040 0.76 LMNA (0.41) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL7310210 0.74 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7316526 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DAURKA
SCHEMBL7311518 0.74 ALDH1A1 (0.37) PDE4APDE4BPDE4CPDE4DAURKA

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