SCHEMBL17899129

SCHEMBL17899129

CCc1ccc(C(N)=O)cc1Oc1ccc(OCCO[C@H]2CCOC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.42
PDE4A P27815 7/20 0.42
PDE4B Q07343 7/20 0.42
PDE4C Q08493 7/20 0.42
PARP10 Q53GL7 2/20 0.38
ATF4 P18848 1/20 0.37
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
F7 P08709 3/20 0.36
F3 P13726 3/20 0.36
PRSS3 P35030 3/20 0.36

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
SCHEMBL17888571 0.87 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17888568 0.87 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17888576 0.87 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17899141 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL20525479 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17888652 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17888650 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17931464 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17899388 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPARP10
SCHEMBL17888598 0.81 PARP10 (0.38) PDE4DPDE4APDE4BPDE4CPARP10

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
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP disclosed