SCHEMBL5983878

SCHEMBL5983878

O=C(OCC(O)CO)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.54
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ BCL9 O00512 1/20 0.48
▸ CTNNB1 P35222 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ ADRB2 P07550 2/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ PKM P14618 2/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ PTPN12 Q05209 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL14985547 0.87 HTR2A (0.56) HTR2AKMT2AMEN1BCL9CTNNB1
SCHEMBL13369008 0.84 HTR2A (0.53) HTR2AKMT2AMEN1BCL9CTNNB1
SCHEMBL29870688 0.82 HTR2A (0.56) HTR2AKMT2ABCL9CTNNB1GAA
SCHEMBL2597348 0.82 HTR2A (0.64) HTR2AKMT2AMEN1BCL9CTNNB1
SCHEMBL763026 0.82 HTR2A (0.64) HTR2AKMT2AMEN1BCL9CTNNB1
SCHEMBL5526504 0.82 HTR2A (0.58) HTR2AKMT2AMEN1BCL9CTNNB1
Glycerin SCHEMBL5983875 0.81 BCL9 (0.51) HTR2AKMT2AMEN1BCL9CTNNB1
SCHEMBL1496537 0.80 GAA (0.68) KMT2AMEN1GAAALDH1A1PKM
SCHEMBL31639396 0.80 HTR2A (0.57) HTR2AKMT2ABCL9CTNNB1GAA
SCHEMBL21097206 0.80 HTR2A (0.61) HTR2AKMT2ABCL9CTNNB1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013002969-A1 ACID-LABILE LIPOPHILIC PRODRUGS OF CANCER CHEMOTHERAPEUTIC AGENTS Arbor Therapeutics, LLC (US) 2013-01-03 — — WO disclosed
EP-1691780-A2 GENE DELIVERY MEDIATED BY LIPOSOME-DNA COMPLEX WITH CLEAVABLE PEG SURFACE MODIFICATION ALZA CORPORATION (US) 2006-08-23 — — EP disclosed
WO-2005051351-A2 GENE DELIVERY MEDIATED BY LIPOSOME-DNA COMPLEX WITH CLEAVABLE PEG SURFACE MODIFICATION ALZA CORPORATION (US) 2005-06-09 — — WO disclosed
EP-1465599-A1 LIPOSOME COMPOSITION FOR DELIVERY OF NUCLEIC ACID ALZA Corporation (US) 2004-10-13 — — EP disclosed
WO-2003053409-A1 LIPOSOME COMPOSITION FOR DELIVERY OF NUCLEIC ACID ALZA CORPORATION (US) 2003-07-03 — — WO disclosed
EP-1223916-A2 NEUTRAL-CATIONIC LIPID FOR NUCLEIC ACID AND DRUG DELIVERY ALZA Corporation (US) 2002-07-24 — — EP disclosed
WO-2001026629-A2 NEUTRAL-CATIONIC LIPID FOR NUCLEIC ACID AND DRUG DELIVERY ALZA CORPORATION (US) 2001-04-19 — — WO disclosed
WO-2001026625-A2 NEUTRAL-CATIONIC LIPID FOR NUCLEIC ACID AND DRUG DELIVERY ALZA CORP (US) 2001-04-19 — — WO disclosed
Send feedback