SCHEMBL7448253

SCHEMBL7448253

COc1ccc(C2CCCSC2)cc1OC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.61
PDE4A P27815 9/20 0.61
PDE4C Q08493 7/20 0.61
PDE4D Q08499 7/20 0.61
CYP3A4 P08684 2/20 0.56
VEGFA P15692 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
CREBBP Q92793 1/20 0.56
KDM4E B2RXH2 1/20 0.56
PDE5A O76074 1/20 0.56
TNF P01375 1/20 0.56
MAPK1 P28482 1/20 0.56
BLM P54132 1/20 0.56
PDE1A P54750 1/20 0.56
PDE1B Q01064 1/20 0.56

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
SCHEMBL9317093 0.93 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7436638 0.93 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9167416 0.86 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7438600 0.85 PDE4B (0.69) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9062953 0.84 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7094968 0.77 PDE4B (0.87) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL8766262 0.76 PDE4B (0.68) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9325839 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL9325842 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4D
SCHEMBL9325314 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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