SCHEMBL7437763

SCHEMBL7437763

COc1ccc(C2=C[S+]([O-])CC2)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.55
PDE4B Q07343 12/20 0.51
PDE4C Q08493 12/20 0.51
PDE4D Q08499 12/20 0.51
FPR2 P25090 1/20 0.48
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45

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
SCHEMBL7439719 0.95 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL5823060 0.79 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7434251 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL6817584 0.78 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7436089 0.78 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7364691 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL6919617 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL7444972 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL8766261 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL9323987 0.74 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541219-A 1-Alkoxy-2-(alkoxy- or cycloalkoxy-)-4-(cyclothioalkyl- or cyclothioalkenyl-) benzenes as inhibitors of cyclic AMP phosphodiesterase and tumor necrosis factor RHONE-POULENC RORER LIMITED (GB) 1996-07-30 US claimed
EP-0629197-A1 1-ALKOXY-(2-ALKOXY- OR CYCLOALKOXY)-4-(CYCLO THIOALKYL- OR CYCLOTHIOALKENYL)BENZENES AS INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASE AND TUMOUR NECROSIS FACTOR. RHONE POULENC RORER LTD (GB) 1994-12-21 EP claimed
WO-1993018024-A1 1-ALKOXY-2-(ALKOXY- OR CYCLOALKOXY)-4-(CYCLO THIOALKYL- OR CYCLOTHIOALKENYL)BENZENES AS INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASE AND TUMOUR NECROSIS FACTOR RHONE-POULENC RORER LIMITED (GB) 1993-09-16 WO claimed
EP-0629197-B1 1-ALKOXY-(2-ALKOXY- OR CYCLOALKOXY)-4-(CYCLO THIOALKYL- OR CYCLOTHIOALKENYL)BENZENES AS INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASE AND TUMOUR NECROSIS FACTOR RHONE POULENC RORER LTD (GB) 1997-08-20 EP disclosed
US-5541219-A 1-Alkoxy-2-(alkoxy- or cycloalkoxy-)-4-(cyclothioalkyl- or cyclothioalkenyl-) benzenes as inhibitors of cyclic AMP phosphodiesterase and tumor necrosis factor RHONE-POULENC RORER LIMITED (GB) 1996-07-30 US disclosed
EP-0629197-A1 1-ALKOXY-(2-ALKOXY- OR CYCLOALKOXY)-4-(CYCLO THIOALKYL- OR CYCLOTHIOALKENYL)BENZENES AS INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASE AND TUMOUR NECROSIS FACTOR. RHONE POULENC RORER LTD (GB) 1994-12-21 EP disclosed
WO-1993018024-A1 1-ALKOXY-2-(ALKOXY- OR CYCLOALKOXY)-4-(CYCLO THIOALKYL- OR CYCLOTHIOALKENYL)BENZENES AS INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASE AND TUMOUR NECROSIS FACTOR RHONE-POULENC RORER LIMITED (GB) 1993-09-16 WO disclosed