SCHEMBL7152154

SCHEMBL7152154

COc1cnc(C=O)cc1OC1CCOC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.47
PDE4B Q07343 10/20 0.47
PDE4A P27815 7/20 0.47
PDE4C Q08493 7/20 0.47
ERBB2 P04626 1/20 0.39
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 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
SCHEMBL73312 0.82 PDE4B (0.46) PDE4DPDE4BPDE4APDE4C
SCHEMBL7357361 0.80 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL7361106 0.79 PDE4D (0.51) PDE4DPDE4BPDE4APDE4C
SCHEMBL6606335 0.78 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CERBB2
SCHEMBL6606836 0.77 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CERBB2
SCHEMBL498305 0.76 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL497696 0.76 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL497697 0.76 PDE4D (0.57) PDE4DPDE4BPDE4APDE4C
SCHEMBL6609841 0.75 PDE4B (0.47) PDE4DPDE4BPDE4APDE4C
SCHEMBL1223854 0.75 ALDH1A1 (0.47)

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
US-6656959-B1 PDE IV inhibiting pyridine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-02 US disclosed
EP-1068194-B1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-05 EP disclosed
EP-1068194-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-17 EP disclosed
WO-1999050262-A1 PDE IV INHIBITING PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO disclosed