SCHEMBL7140280

SCHEMBL7140280

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1COCC1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.67
PDE4B Q07343 15/20 0.67
PDE4A P27815 14/20 0.67
PDE4C Q08493 14/20 0.67
CYP2B6 P20813 1/20 0.56
ABCB11 O95342 1/20 0.48
GFER P55789 1/20 0.46

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
SCHEMBL7141179 0.91 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7140292 0.90 PDE4D (0.64) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7143191 0.85 PDE4B (0.61) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7133913 0.84 PDE4D (0.59) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7362470 0.82 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7361858 0.82 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7354074 0.82 PDE4D (0.76) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7354173 0.82 PDE4D (0.83) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL7355711 0.82 PDE4D (0.71) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.82 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086096-B1 BENZAMIDES WITH TETRAHYDROFURANYLOXY SUBSTITUTENTS AS PHOSPHODIESTERASE 4 INHIBITORS ALTANA PHARMA AG (DE) 2003-07-23 EP disclosed
US-6303789-B1 TREATING AIRWAY DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-10-16 US disclosed