SCHEMBL7533459

SCHEMBL7533459

[CH2]Oc1cc(CCC(=O)OC)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
OR51E2 Q9H255 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PDE4D Q08499 1/20 0.48
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL3940302 0.91 KMT2A (0.59) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL21494459 0.84 PDE4D (0.59) ALOX5OR51E2KMT2AMEN1PDE4D
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.81 ALOX5 (0.77) ALOX5OR51E2ALDH1A1
SCHEMBL28287006 0.81 CYP19A1 (0.65) ALOX5OR51E2KMT2AMEN1
SCHEMBL18744079 0.81 ALOX5 (0.55) ALOX5OR51E2KMT2AMEN1CA12
Phenyl Propionic Acid SCHEMBL28541899 0.80 KMT2A (0.63) ALOX5KMT2AMEN1ALDH1A1
SCHEMBL7283109 0.80 ALDH1A1 (0.57) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL16294204 0.80 ALOX5 (0.54) ALOX5OR51E2KMT2AMEN1CA12
SCHEMBL584916 0.80 HTT (0.52) ALOX5OR51E2ALDH1A1
SCHEMBL3686214 0.80 HDAC1 (0.51) ALOX5OR51E2KMT2AMEN1ALDH1A1

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