SCHEMBL434601

SCHEMBL434601

COc1ccc(C(=O)Nc2c(Cl)c[nH]c(=O)c2Cl)c2ccc(C(F)(F)F)nc12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.70
PDE4A P27815 18/20 0.70
PDE4C Q08493 18/20 0.70
PDE4D Q08499 18/20 0.70
PDE11A Q9HCR9 1/20 0.70
PDE3A Q14432 1/20 0.41

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
SCHEMBL29993300 0.82 PDE4D (1.00) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL4702803 0.82 PDE4D (1.00) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL432864 0.82 PDE4A (0.77) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL8290205 0.82 PDE4A (0.80) PDE4BPDE4APDE4CPDE4DPDE11A
Sch-351591 SCHEMBL157018 0.82 PDE4A (0.80) PDE4BPDE4APDE4CPDE4DPDE11A
Sch-351591 SCHEMBL29378661 0.82 PDE4A (0.80) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7424198 0.80 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL13035036 0.79 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL432865 0.78 PDE4A (0.80) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL7982331 0.76 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DPDE11A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010513276-A 2010-04-30 JP claimed
EP-2125841-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND BETA-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION Gilead Sciences, Inc. (US) 2009-12-02 EP claimed
WO-2008076265-A1 MONOPHOSPHATES AS MUTUAL PRODRUGS OF ANTI-INFLAMMATORY SIGNAL TRANSDUCTION MODULATORS (AISTM'S) AND β-AGONISTS FOR THE TREATMENT OF PULMONARY INFLAMMATION AND BRONCHOCONSTRICTION GILEAD SCIENCES, INC. (US) 2008-06-26 WO claimed