SCHEMBL4426909

SCHEMBL4426909

CCOc1cc(C(C)C(=O)N(C)C)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.58
PDE4A P27815 5/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4684865 0.86 HIF1A (0.57) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL3673327 0.84 HIF1A (0.59) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL4684868 0.84 HIF1A (0.59) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL7995934 0.83 HIF1A (0.57) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL7995945 0.83 HIF1A (0.57) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL7151741 0.81 HIF1A (0.55) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL3049101 0.77 ALDH1A1 (0.50) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL682779 0.77 ALDH1A1 (0.52) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL3666480 0.76 AKR1C3 (0.63) HIF1ALMNAAKR1C3AKR1C2TSHR
SCHEMBL20459369 0.76 PDE4A (0.60) HIF1APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1679967-A4 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUS FOR TREATMENT, MODIFICATION AND MANAGEMENT OF PAIN CELGENE CORP (US) 2009-07-15 EP disclosed
EP-1755589-A4 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF PULMONARY HYPERTENSION CELGENE CORP (US) 2007-11-07 EP disclosed
EP-1755589-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF PULMONARY HYPERTENSION CELGENE CORPORATION (US) 2007-02-28 EP disclosed
EP-1684756-A1 CYTOKINE INHIBITORY DRUGS FOR TREATMENT OF MACULAR DEGENERATION CELGENE CORPORATION (US) 2006-08-02 EP disclosed
EP-1679967-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUS FOR TREATMENT, MODIFICATION AND MANAGEMENT OF PAIN CELGENE CORPORATION (US) 2006-07-19 EP disclosed
WO-2005102317-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF PULMONARY HYPERTENSION CELGENE CORPORATION (US) 2005-11-03 WO disclosed
WO-2005043971-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR TREATMENT, MODIFICATION AND MANAGEMENT OF PAIN CELGENE CORPORATION (US) 2005-05-19 WO disclosed
WO-2005044269-A1 CYTOKINE INHIBITORY DRUGS FOR TREATMENT OF MACULAR DEGENERATION CELGENE CORPORATION (US) 2005-05-19 WO disclosed