SCHEMBL7369768

SCHEMBL7369768

COc1ccc(-c2ccc(C(=O)O)cc2)cc1OCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 1.00
PDE4B Q07343 11/20 1.00
PDE4C Q08493 11/20 1.00
PDE4D Q08499 11/20 1.00
PTPN11 Q06124 1/20 0.53
LTB4R Q15722 1/20 0.53
PLA2G4B P0C869 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
RXRA P19793 1/20 0.50
PTAFR P25105 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
SCHEMBL7376634 0.92 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPTAFR
SCHEMBL7153812 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL678960 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL8890661 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL8683735 0.83 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPTPN11
SCHEMBL6584958 0.82 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6942928 0.81 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D
SCHEMBL7151164 0.81 PDE4A (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL9712873 0.80 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL17844309 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DMRGPRX4

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-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed