SCHEMBL8219799

SCHEMBL8219799

CCOC(=O)CN(CC(=O)OCC)Cc1cc(CCCOCc2ccccc2)cc(CN(CC(=O)OCC)CC(=O)OCC)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
ALOX5 P09917 1/20 0.41
PIN1 Q13526 1/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
TSPO P30536 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRMT5 O14744 1/20 0.37

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
SCHEMBL10508451 0.80 L3MBTL1 (0.47) LTA4HALOX5PIN1PPARGPPARA
SCHEMBL8190164 0.80 CYP4A11 (0.43) LTA4HALOX5PIN1PPARGPPARA
SCHEMBL10508455 0.78 PIN1 (0.38) LTA4HALOX5PIN1PPARGPPARA
SCHEMBL8187352 0.78 ALDH1A1 (0.53) ALOX5PPARGNPC1LMNA
SCHEMBL8186540 0.77 PPARA (0.39) ALOX5PIN1PPARGPPARA
SCHEMBL8191568 0.75 MEN1 (0.49) LMNA
SCHEMBL8225522 0.75 PPIB (0.42) LTA4HPPARGNPC1LMNAALOX15
SCHEMBL8188008 0.74 HRH4 (0.47) LTA4HLMNATSHRHSD17B10
SCHEMBL8192767 0.74 HRH3 (0.47) LTA4HALOX5TSHR
SCHEMBL8178730 0.74 ALDH1A1 (0.48) ALOX5PPARGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127529-A FORMS STABLE CHELATE COMPOUND USEFUL FOR LABELING BIOLOGICAL TARGETING COMPOUND RESIDUE WALLAC OY (FI) 2000-10-03 US disclosed
EP-0298939-B1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1994-01-12 EP disclosed
EP-0378652-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-07-25 EP disclosed
WO-1990000622-A1 OLIGONUCLEOTIDE HYBRIDIZATION PROBES AND MEANS FOR THE SYNTHESIS OF THE MOST PREFERRED PROBES WALLAC OY (FI) 1990-01-25 WO disclosed
EP-0298939-A1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1989-01-11 EP disclosed