SCHEMBL8436216

SCHEMBL8436216

O=C(CC(CC(=O)c1ccccc1)c1ccccc1C(CC(=O)c1ccccc1)CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.71
NPSR1 Q6W5P4 2/20 0.71
POLB P06746 1/20 0.71
HTT P42858 1/20 0.71
TSHR P16473 1/20 0.61
ATM Q13315 1/20 0.54
MAPT P10636 5/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 5/20 0.50
PTPN1 P18031 3/20 0.50
GSK3B P49841 2/20 0.50

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
SCHEMBL8431654 0.83 L3MBTL1 (0.74) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL9066674 0.83 ATM (0.74) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL13720867 0.82 L3MBTL1 (0.60) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL16616451 0.78 ATM (0.68) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL12158738 0.77 L3MBTL1 (0.55) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL1606582 0.77 TSHR (0.65) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL5313340 0.77 TSHR (0.72) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL2581702 0.76 ATM (0.66) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL28114650 0.76 ATM (0.66) L3MBTL1NPSR1POLBHTTTSHR
SCHEMBL12158645 0.76 ATM (0.66) L3MBTL1NPSR1POLBHTTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863651-A Poly-pyridinium salts THE UNIVERSITY OF AKRON (US) 1999-01-26 US disclosed
US-5763563-A CONDENSATION POLYMERIZING A BIS-PRYLIUM SALT WITH AN ARYL DIAMINE IN A POLAR APROTIC SOLVENT TO FORM CATIONIC POLYMER THE UNIVERSITY OF AKRON (US) 1998-06-09 US disclosed