SCHEMBL19018024

SCHEMBL19018024

Cc1ccc(C(=O)Cc2c(O)cncc2O)c2c1OC1(CCS(=O)(=O)CC1)O2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.55
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL7698552 0.88 PDE4A (0.70) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL19017950 0.86 PDE4A (0.42) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL19017830 0.85 PDE4A (0.57) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL19018021 0.84 PDE4A (0.41) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL14947099 0.81 PDE4A (0.71) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL18857624 0.76 PDE4A (0.44) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL4565777 0.76 PDE4A (0.78) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL18853957 0.73 PDE4A (0.42) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL18857435 0.73 PDE4A (0.48) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL7700350 0.72 PDE4A (0.86) PDE4APDE4BPDE4DPDE3BPDE3A

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
WO-2017103058-A1 METHODS FOR THE PREPARATION OF 1,3-BENZODIOXOLE HETEROCYCLIC COMPOUNDS LEO PHARMA A/S (DK) 2017-06-22 WO disclosed