SCHEMBL7530000

SCHEMBL7530000

COC(=O)CCc1cc(OCc2cc(OC)c(OCc3cc(OC)c(OCc4cc(OC)c(OCc5cc(OC)c(OCc6cc(OC)c(OCc7cc(OC)c(OCc8cc(OC)c(OC(C)=O)cc8CCC(=O)OC)cc7CCC(=O)OC)cc6CCC(=O)OC)cc5CCC(=O)OC)cc4CCC(=O)OC)cc3CCC(=O)OC)cc2CCC(=O)OC)c(OC)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.41
HMGCR P04035 2/20 0.41
PDE4D Q08499 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.34
NR3C1 P04150 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL7537430 1.00 TNFSF11 (0.41) TNFSF11HMGCRPDE4DPDE4APDE4B
SCHEMBL7530056 1.00 TNFSF11 (0.41) TNFSF11HMGCRPDE4DPDE4APDE4B
SCHEMBL7530956 0.95 HMGCR (0.40) TNFSF11HMGCRPDE4DPDE4APDE4B
SCHEMBL7537891 0.89 TNFSF11 (0.40) TNFSF11HMGCRPDE4DPDE3BPDE3A
SCHEMBL7530786 0.86 LTA4H (0.45) PTGS1
SCHEMBL5882460 0.84 PDE4D (0.52) HMGCRPDE4DPDE4APDE4BPDE4C
SCHEMBL7536283 0.83 HMGCR (0.36) TNFSF11HMGCRPDE4DPDE3BPDE3A
SCHEMBL7529980 0.83 POLB (0.43) HMGCR
SCHEMBL7531447 0.81 TNFSF11 (0.46) TNFSF11HMGCRPDE4DPDE3BPDE3A
SCHEMBL7531680 0.80 FFAR4 (0.47) HMGCRPDE4DPDE4APDE4BPDE4C

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
EP-0585371-B1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INTERNAT H (US) 2002-04-17 EP claimed
US-5571506-A AROMATIC ALDEHYDE OLIGOMERS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, BONE METABOLISM, ANTILIPEMIC AGENTS AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-11-05 US claimed
EP-0585371-B1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INTERNAT H (US) 2002-04-17 EP disclosed
US-5571506-A AROMATIC ALDEHYDE OLIGOMERS FOR TREATMENT OF CARDIOVASCULAR DISORDERS, BONE METABOLISM, ANTILIPEMIC AGENTS AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
EP-0585371-A4 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE POULENC RORER INT (US) 1994-07-13 EP disclosed
EP-0585371-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-09 EP disclosed
WO-1992020350-A1 AROMATIC OLIGOMERIC COMPOUNDS USEFUL AS MIMICS OF BIOACTIVE MACROMOLECULES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed