SCHEMBL30869217

SCHEMBL30869217

CC(C(=O)C(C)c1ccc(OC(F)F)c2c1OC1(CCSCC1)O2)c1ccc(OC(F)F)c2c1OC1(CCSCC1)O2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.52
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL30869223 0.81 PDE4A (0.62) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL18986757 0.81 PDE4A (0.62) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL1697812 0.80 PDE4A (0.63) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL1697742 0.79 PDE4A (0.63) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL7696542 0.76 PDE4A (0.55) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL29207572 0.76 PDE4A (0.48) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL7705396 0.75 PDE4A (0.53) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL28350608 0.73 PDE4A (0.48) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL29840634 0.71 PDE4A (0.46) PDE4APDE4BPDE4DPDE3BPDE3A
SCHEMBL7702419 0.69 PDE4A (0.81) 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
CN-110741005-B Process for preparing 1, 3-benzodioxole heterocyclic compounds 联合疗法公司 2024-04-12 CN disclosed