SCHEMBL7531447

SCHEMBL7531447

COC(=O)CCc1cc(OC(C)=O)c(OC)cc1CBr

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.46
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP3A4 P08684 1/20 0.40
HMGCR P04035 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.38
PDE4D Q08499 1/20 0.38
NR3C1 P04150 1/20 0.37
ALOX5 P09917 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL7537891 0.93 TNFSF11 (0.40) TNFSF11PDE3BPDE3ACYP3A4HMGCR
SCHEMBL7531278 0.81 TNFSF11 (0.44) TNFSF11PDE3BPDE3ACYP3A4HMGCR
SCHEMBL7530000 0.81 TNFSF11 (0.41) TNFSF11PDE3BPDE3ACYP3A4HMGCR
SCHEMBL7530056 0.81 TNFSF11 (0.41) TNFSF11PDE3BPDE3ACYP3A4HMGCR
SCHEMBL7537430 0.81 TNFSF11 (0.41) TNFSF11PDE3BPDE3ACYP3A4HMGCR
SCHEMBL7529985 0.78 TNFSF11 (0.39) TNFSF11PDE3BPDE3ACYP3A4HMGCR
SCHEMBL5882460 0.77 PDE4D (0.52) PDE3BPDE3ACYP3A4HMGCRTSHR
SCHEMBL7530956 0.77 HMGCR (0.40) TNFSF11PDE3BPDE3AHMGCRTSHR
SCHEMBL7530786 0.77 LTA4H (0.45) PTGS1
SCHEMBL7535383 0.75 MTNR1B (0.42) HMGCR

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 5 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 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