SCHEMBL8720658

SCHEMBL8720658

Oc1cc(Oc2ccccc2)c(OOc2ccccc2)c(Oc2ccccc2)c1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.44
▸ LTA4H P09960 2/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ BAX Q07812 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ CAMK2A Q9UQM7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ PNLIP P16233 1/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL4960653 0.77 LTA4H (0.52) TTRLTA4HNR1H2BAXTHRA
SCHEMBL11076245 0.75 TTR (0.62) TTRLTA4HNR1H2BAXALDH1A1
SCHEMBL10931576 0.72 LTA4H (0.55) TTRLTA4HNR1H2BAXTHRA
SCHEMBL982234 0.72 TTR (0.50) TTRLTA4HNR1H2BAXTHRA
SCHEMBL17273646 0.69 LTA4H (0.73) LTA4HNR1H2BAXALDH1A1HPGD
SCHEMBL15787242 0.69 TTR (0.60) TTRLTA4HNR1H2BAXALDH1A1
SCHEMBL19205829 0.68 DPP4 (0.46) LTA4HALDH1A1HPGDTSHRKDM4E
SCHEMBL6893890 0.68 TTR (0.50) TTRLTA4HNR1H2BAXTHRB
SCHEMBL982183 0.68 ALDH1A1 (0.47) TTRLTA4HNR1H2BAXALDH1A1
SCHEMBL28177362 0.68 LTA4H (0.55) TTRLTA4HNR1H2BAXALDH1A1

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
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