SCHEMBL7454403

SCHEMBL7454403

CCOCn1cnc2c1c(=O)[nH]c(=O)n2CC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.61
▸ ADORA2A P29274 5/20 0.61
▸ PDE4B Q07343 5/20 0.61
▸ PDE4C Q08493 5/20 0.61
▸ PDE4D Q08499 5/20 0.61
▸ BRD4 O60885 8/20 0.59
▸ BRD2 P25440 2/20 0.59
▸ BRD3 Q15059 2/20 0.59
▸ BRDT Q58F21 2/20 0.59
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL22105714 0.86 PDE4A (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL516463 0.86 PDE4A (0.81) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22105715 0.85 PDE4A (0.57) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7465479 0.85 BRD4 (0.76) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7464093 0.85 MAPK1 (0.57) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7464482 0.82 PDE4A (0.86) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9565477 0.80 PDE4A (0.65) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7031729 0.80 MEN1 (0.87) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL6661580 0.79 BRD4 (0.51) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL9055277 0.78 PDE4A (0.61) PDE4AADORA2APDE4BPDE4CPDE4D

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-0771813-B1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AG (DE) 2002-01-16 — — EP disclosed
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
CN-1158855-A Alkylxanthine phosphonates and alkylxanthine phosphine oxides and their use as pharmacueticals HOECHST AG (DE) 1997-09-10 — — CN disclosed
EP-0771813-A1 Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 — — EP disclosed
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