SCHEMBL29664016

SCHEMBL29664016

O=C(O)c1ccc(OC2CCOC2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.51
PDE4A P27815 11/20 0.51
PDE4B Q07343 11/20 0.51
PDE4C Q08493 11/20 0.51
ATXN2 Q99700 1/20 0.42

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
SCHEMBL17112499 1.00 PDE4D (0.51) PDE4DPDE4APDE4BPDE4CATXN2
SCHEMBL17112486 0.86 PDE4D (0.54) PDE4DPDE4APDE4BPDE4C
SCHEMBL2543514 0.84 KMT2A (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL12800157 0.84 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL2586121 0.83 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL17112462 0.83 ATXN2 (0.59) PDE4DPDE4APDE4BPDE4CATXN2
SCHEMBL7360996 0.83 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359837 0.83 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL17908087 0.83 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C
SCHEMBL7361406 0.83 PDE4D (0.72) PDE4DPDE4APDE4BPDE4C

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-110204550-B Bicyclic compounds as Autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed