SCHEMBL7320751

SCHEMBL7320751

CCC(C)(C)COC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2N=C1NC(C)=O

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.85
PDE4B Q07343 20/20 0.85
PDE4C Q08493 20/20 0.85
PDE4D Q08499 20/20 0.85

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
SCHEMBL7310265 0.93 PDE4A (0.73) PDE4APDE4BPDE4CPDE4D
SCHEMBL7304032 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7310307 0.92 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL7309217 0.90 PDE4A (0.84) PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL7312939 0.89 PDE4A (0.87) PDE4APDE4BPDE4CPDE4D
SCHEMBL7313383 0.89 PDE4A (0.87) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320401 0.89 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL7314809 0.88 PDE4A (0.86) PDE4APDE4BPDE4CPDE4D
SCHEMBL7315599 0.87 PDE4A (0.85) PDE4APDE4BPDE4CPDE4D
SCHEMBL7320747 0.87 PDE4A (0.79) 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