SCHEMBL8720652

SCHEMBL8720652

Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(O)c(Oc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.58
TSHR P16473 1/20 0.58
NR1H2 P55055 1/20 0.56
BAX Q07812 1/20 0.56
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PARP10 Q53GL7 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TTR P02766 1/20 0.41
SRD5A2 P31213 1/20 0.40

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
SCHEMBL28177362 0.97 LTA4H (0.55) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL9658319 0.87 KDM4E (0.54) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL17273646 0.82 LTA4H (0.73) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL10931576 0.81 LTA4H (0.55) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL2714039 0.80 LTA4H (0.48) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL1834612 0.79 LTA4H (0.52) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL4960202 0.79 TTR (0.47) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL10958564 0.79 LTA4H (0.46) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL10944616 0.79 LTA4H (0.46) LTA4HTSHRNR1H2BAXKDM4E
SCHEMBL10586233 0.79 DHODH (0.44) LTA4HTSHRNR1H2BAXKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662004-B1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1998-03-18 EP disclosed
US-5700448-A Use of persistent free-radicals in magnetic resonance imaging NYCOMED IMAGING AS (NO) 1997-12-23 US disclosed
US-5435991-A Use of persistent heterocyclic free-radicals in magnetic resonance imaging NYCOMED INNOVATION AB (SE) 1995-07-25 US disclosed
EP-0662004-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING Nycomed Innovation AB (SE) 1995-07-12 EP disclosed
WO-1993002710-A2 USE OF PERSISTENT FREE RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed
WO-1993002711-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed