SCHEMBL8690105

SCHEMBL8690105

CCP(=O)(O)CC(ON1C(=O)c2ccccc2C1=O)c1cc(Cl)c(OCOCCOC)c(OCOCCOC)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.32
PDE4B Q07343 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
RARG P13631 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RECQL P46063 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
SCHEMBL8690589 0.87 PDE4A (0.31) PDE4APDE4BPDE4CPDE4DRARG
SCHEMBL8690107 0.83 PDE4B (0.33) PDE4APDE4BPDE4CPDE4DRARG
SCHEMBL8690586 0.83 GAA (0.31) PDE4APDE4BPDE4CPDE4DRARG
SCHEMBL8690592 0.81 RECQL (0.33) PDE4APDE4BPDE4CPDE4DRARG
SCHEMBL8690102 0.79 PDE4B (0.33) PDE4APDE4BPDE4CPDE4DRARG
SCHEMBL8688277 0.79 PDE4B (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL8688145 0.68 PDE4B (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL8688278 0.66 TNF (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL8688151 0.64 TNF (0.42) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL8688141 0.64 PDE4B (0.40) 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-5710147-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-01-20 US disclosed