SCHEMBL4452603

SCHEMBL4452603

O=[N+]([O-])C1COCCOCCOCCOc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
HTT P42858 1/20 0.53
GAA P10253 1/20 0.49
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
LTA4H P09960 2/20 0.35

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
SCHEMBL1134762 1.00 SMN1; SMN2 (0.53) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL5279172 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL3560156 0.83 NPC1 (0.47) SMN1; SMN2HTTMAPTNPC1RAB9A
SCHEMBL7842768 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL23646856 0.76 SMN1; SMN2 (0.65) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL625232 0.73 SMN1; SMN2 (0.61) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8746467 0.73 SMN1; SMN2 (0.61) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2400301 0.73 SMN1; SMN2 (0.61) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8493018 0.73 SMN1; SMN2 (0.61) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL896833 0.73 SMN1; SMN2 (0.61) SMN1; SMN2LMNACRHBPCRHR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2115177-A1 METHOD FOR THE ELUTION OF 18F FLUORIDE TRAPPED ON AN ANION-EXCHANGE PHASE IN A FORM SUITABLE FOR EFFICIENT RADIOLABELING WITHOUT ANY EVAPORATION STEP Trasis S.A. (BE) 2009-11-11 EP claimed
WO-2008101305-A1 METHOD FOR THE ELUTION OF 18F FLUORIDE TRAPPED ON AN ANION-EXCHANGE PHASE IN A FORM SUITABLE FOR EFFICIENT RADIOLABELING WITHOUT ANY EVAPORATION STEP TRASIS S.A. (BE) 2008-08-28 WO claimed
EP-1858990-A1 INK COMPOSITION FOR CONTINUOUS DEFLECTED INK JET PRINTING IMAJE S.A. (FR) 2007-11-28 EP claimed
WO-2006097502-A1 INK COMPOSITION FOR CONTINUOUS DEFLECTED INK JET PRINTING IMAJE S.A. (FR) 2006-09-21 WO claimed