SCHEMBL7533095

SCHEMBL7533095

COC(=O)CCc1cc(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)c(Cc7cc(OC)c(Cc8cc(OC)c(I)cc8CCC(=O)OC)cc7CCC(=O)OC)cc6CCC(=O)OC)cc5CCC(=O)OC)cc4CCC(=O)OC)cc3CCC(=O)OC)cc2CCC(=O)OC)c(OC)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
PDE4D Q08499 1/20 0.33
BACE1 P56817 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31
HRH1 P35367 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR6 P50406 1/20 0.31
HTR1A P08908 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
TSHR P16473 2/20 0.30
NFKB1 P19838 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7530080 1.00 MTNR1A (0.39) MTNR1AMTNR1BPDE4DBACE1HTR2A
SCHEMBL7536742 1.00 MTNR1A (0.39) MTNR1AMTNR1BPDE4DBACE1HTR2A
SCHEMBL7535899 0.96 MTNR1A (0.37) MTNR1AMTNR1BPDE4D
SCHEMBL7530400 0.94 MTNR1A (0.36) MTNR1AMTNR1BPDE4DBACE1HTR2A
SCHEMBL7530899 0.93 MTNR1A (0.38) MTNR1AMTNR1BPDE4DBACE1CYP1A2
SCHEMBL7532277 0.93 MTNR1A (0.38) MTNR1AMTNR1BPDE4DBACE1CYP1A2
SCHEMBL7534945 0.93 MTNR1A (0.38) MTNR1AMTNR1BPDE4DBACE1CYP1A2
SCHEMBL7531040 0.82 HMGCR (0.38) MTNR1AMTNR1BPDE4DBACE1CYP1A2
SCHEMBL7532530 0.82 BACE1 (0.36) MTNR1AMTNR1BBACE1ALDH1A1
SCHEMBL7529985 0.80 TNFSF11 (0.39) MTNR1AMTNR1BPDE4DBACE1CYP3A4

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