SCHEMBL7425558

SCHEMBL7425558

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1C=C(C)C

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.72
PDE4A P27815 16/20 0.60
PDE4B Q07343 16/20 0.60
PDE4C Q08493 16/20 0.60
CYP2B6 P20813 1/20 0.59
GFER P55789 1/20 0.50

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
SCHEMBL15270505 0.84 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7421089 0.82 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL30614194 0.82 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL2908650 0.82 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL6874729 0.82 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8891373 0.81 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8891383 0.81 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7353919 0.80 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7357641 0.79 PDE4D (0.83) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL7353637 0.78 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6

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
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO claimed
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 WO disclosed