SCHEMBL7529985

SCHEMBL7529985

COC(=O)CCc1cc(OC(C)=O)c(OC)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.39
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
DRD2 P14416 1/20 0.34
HMGCR P04035 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
BACE1 P56817 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL7536283 0.96 HMGCR (0.36) TNFSF11PDE4DPDE3BPDE3ADRD2
SCHEMBL7531040 0.86 HMGCR (0.38) PDE4DPDE3BPDE3AHMGCRMTNR1A
SCHEMBL7530400 0.85 MTNR1A (0.36) PDE4DPDE3BPDE3ADRD2HMGCR
SCHEMBL7530218 0.84 HMGCR (0.41) PDE4DPDE3BPDE3ADRD2HMGCR
SCHEMBL7532128 0.81 MTNR1B (0.40) PDE4DMTNR1AMTNR1BTSHR
SCHEMBL8959275 0.80 HMGCR (0.41) PDE4DHMGCRBACE1
SCHEMBL7533095 0.80 MTNR1A (0.39) PDE4DPDE3BPDE3ADRD2MTNR1A
SCHEMBL7536742 0.80 MTNR1A (0.39) PDE4DPDE3BPDE3ADRD2MTNR1A
SCHEMBL7530080 0.80 MTNR1A (0.39) PDE4DPDE3BPDE3ADRD2MTNR1A
SCHEMBL7531447 0.78 TNFSF11 (0.46) TNFSF11PDE4DPDE3BPDE3AHMGCR

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