SCHEMBL5505741

SCHEMBL5505741

CCOc1ccc(C(CC(=O)O)C2=NC(=O)c3ccccc32)cc1OCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
TNF P01375 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
CTSA P10619 8/20 0.45
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6692793 0.74 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7183447 0.74 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6693234 0.71 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DTNF
Hydrochloric Acid SCHEMBL28323446 0.70 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL6098481 0.70 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3120500 0.70 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL825528 0.70 MEN1 (0.67) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL3692514 0.70 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL7172764 0.69 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7872611 0.68 NPSR1 (0.73) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562586-A4 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR TREATMENT, MODIFICATION AND MANAGEMENT OF PAIN CELGENE CORP (US) 2007-10-10 EP disclosed
EP-1562586-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR TREATMENT, MODIFICATION AND MANAGEMENT OF PAIN CELGENE CORPORATION (US) 2005-08-17 EP disclosed
WO-2004037207-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR TREATMENT, MODIFICATION AND MANAGEMENT OF PAIN CELGENE CORPORATION (US) 2004-05-06 WO disclosed