SCHEMBL8186540

SCHEMBL8186540

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
TLR8 Q9NR97 1/20 0.34
PIN1 Q13526 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPB2 Q96IY4 1/20 0.33
AKT1 P31749 1/20 0.32
IRS1 P35568 1/20 0.32
GAB1 Q13480 1/20 0.32

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
SCHEMBL8190164 0.86 CYP4A11 (0.43) PPARAPPARGPIN1CA12CA1
SCHEMBL8225522 0.80 PPIB (0.42) PPARGCYP1A2CA1CA2MEN1
SCHEMBL8191568 0.78 MEN1 (0.49) CYP1A2MEN1KMT2AALDH1A1
SCHEMBL8219799 0.77 LTA4H (0.42) PPARAPPARGPIN1ALOX5
SCHEMBL9356406 0.75 PPIB (0.40) PPARGCYP1A2CA1CA2MEN1
SCHEMBL8186546 0.74 CYP1A2 (0.41) PPARAPPARGCYP1A2TLR8MEN1
SCHEMBL10508451 0.74 L3MBTL1 (0.47) PPARAPPARGPIN1ALOX5KMT2A
SCHEMBL3927566 0.74 CXCR4 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL8229645 0.74 RAB9A (0.46) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9408146 0.72 NR1H2 (0.35) PPARA

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