SCHEMBL7532476

SCHEMBL7532476

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
OR51E2 Q9H255 1/20 0.50
CYP19A1 P11511 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 1/20 0.44
HMGCR P04035 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL7530786 0.88 LTA4H (0.45) KMT2AMEN1FFAR4FFAR1CA1
SCHEMBL7533057 0.87 KMT2A (0.50) GAAKMT2AMEN1FFAR4
SCHEMBL3940302 0.81 KMT2A (0.59) ALOX5OR51E2KMT2AMEN1CA1
SCHEMBL7530218 0.79 HMGCR (0.41) TRPV1KMT2AMEN1HMGCR
SCHEMBL28287006 0.79 CYP19A1 (0.65) ALOX5OR51E2CYP19A1TRPV1GAA
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.79 ALOX5 (0.77) ALOX5OR51E2TRPV1GAA
SCHEMBL21494459 0.78 PDE4D (0.59) ALOX5OR51E2KMT2AMEN1
SCHEMBL7532062 0.76 FFAR1 (0.54) KMT2AMEN1FFAR4FFAR1APP
SCHEMBL8959275 0.76 HMGCR (0.41) TRPV1FFAR4FFAR1HMGCR
SCHEMBL18224202 0.75 ALOX5 (0.54) ALOX5OR51E2KMT2AMEN1CA1

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