SCHEMBL7700632

SCHEMBL7700632

CC(F)Oc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2c1OC1(CCOCC1)O2

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.86
PDE4D Q08499 10/20 0.53
PDE4B Q07343 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53

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
SCHEMBL14935906 0.93 PDE4A (1.00) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL17772020 0.91 PDE4A (0.86) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL7700350 0.89 PDE4A (0.86) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL3304195 0.88 PDE4A (0.77) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL30869220 0.82 PDE4A (0.81) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL7702419 0.82 PDE4A (0.81) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL14947100 0.81 PDE4A (1.00) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL7698433 0.81 PDE4A (0.70) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL7693394 0.80 PDE4A (0.86) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL14936339 0.80 PDE4A (1.00) PDE4APDE4DPDE4BPDE3BPDE3A

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-2011160632-A1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-12-29 WO disclosed