SCHEMBL8922486

SCHEMBL8922486

CCOc1ccc(-c2nc(-c3cccc(CCC(=O)O)n3)cs2)cc1OCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.71
PDE4B Q07343 1/20 0.71
PDE4C Q08493 1/20 0.71
PDE4D Q08499 1/20 0.71
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SREBF2 Q12772 4/20 0.42
S1PR1 P21453 1/20 0.42
DCK P27707 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40

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
SCHEMBL8923733 0.91 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL7494039 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8922821 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL3589668 0.85 KDM4E (0.58) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8925973 0.84 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8925953 0.83 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DMAPT
Tetomilast SCHEMBL29369138 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPT
Tetomilast SCHEMBL436663 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DMAPT
Methylene Chloride SCHEMBL28013639 0.82 KDM4E (0.60) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL852122 0.82 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed