SCHEMBL28855352

SCHEMBL28855352

COc1cc(Br)cc(CO)c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
GAA P10253 3/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ERN1 O75460 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NQO2 P16083 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL15218262 0.81 PTGDR2 (0.36) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL293625 0.81 GAA (0.56) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL5549042 0.81 ALOX15 (0.47) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL15814604 0.80 PTGDR2 (0.37) PDE4APDE4BPDE4CPDE4DALOX12
SCHEMBL14236162 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL1317039 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL15525407 0.79 NQO2 (0.47) ERN1ALOX15ALOX12MEN1KMT2A
SCHEMBL9817534 0.76 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL23783141 0.75 ERN1 (0.44) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL10600312 0.75 MAPT (0.50) PDE4APDE4BPDE4CPDE4DGAA

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-115151538-A Macrocyclic compounds, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-10-04 CN disclosed