SCHEMBL7150812

SCHEMBL7150812

COc1ccc(C(C)(C)NC(=O)OC(C)(C)C)cc1OC1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.54
PDE4A P27815 8/20 0.54
PDE4C Q08493 8/20 0.54
PDE4D Q08499 8/20 0.54
KDM4E B2RXH2 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL7906195 0.77 PDE4B (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL27564379 0.75 KDM4E (0.41) KDM4EALDH1A1GAATSHR
SCHEMBL3371531 0.74 PDE4D (0.69) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL6585141 0.74 PDE4B (0.47) PDE4BPDE4APDE4CPDE4D
SCHEMBL7916041 0.72 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL7913459 0.72 PDE4D (0.70) PDE4BPDE4APDE4CPDE4DNOX1
SCHEMBL498539 0.71 ALDH1A1 (0.60) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7364665 0.70 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL1157507 0.70 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7441489 0.70 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934280-B1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-09 EP disclosed
US-6051718-A A PHOSPHODIESTERASE ENZYME INHIBITOR AND A CYTOKINE ANTAGONIST FOR TREATING ALLERGIC, ATOPIC AND INFLAMMATORY DISEASES INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-04-18 US disclosed
EP-0934280-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-08-11 EP disclosed
WO-1998014432-A1 PDE IV INHIBITING 2-CYANOIMINOIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-04-09 WO disclosed