SCHEMBL7530786

SCHEMBL7530786

COC(=O)CCc1ccc(OC)c(OCc2cc(OC)c(OCc3cc(OC)c(OC(C)=O)cc3CCC(=O)OC)cc2CCC(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.45
PTGS1 P23219 1/20 0.44
CCR5 P51681 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
FFAR1 O14842 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
APP P05067 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL7532476 0.88 ALOX5 (0.50) KMT2AMEN1FFAR4FFAR1APP
SCHEMBL7537430 0.86 TNFSF11 (0.41) PTGS1
SCHEMBL7530056 0.86 TNFSF11 (0.41) PTGS1
SCHEMBL7530000 0.86 TNFSF11 (0.41) PTGS1
SCHEMBL7533057 0.86 KMT2A (0.50) KMT2AMEN1FFAR4MTNR1AMTNR1B
SCHEMBL7537891 0.85 TNFSF11 (0.40) PTGS1
SCHEMBL7530956 0.82 HMGCR (0.40) FFAR4FFAR1
SCHEMBL3940302 0.80 KMT2A (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL7536283 0.80 HMGCR (0.36) MTNR1AMTNR1B
SCHEMBL7531447 0.77 TNFSF11 (0.46) PTGS1

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