SCHEMBL8187352

SCHEMBL8187352

CC(=O)OCc1cc(CCCOCc2ccccc2)cc(COC(C)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
CASP1 P29466 1/20 0.39
NAAA Q02083 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
IDH1 O75874 1/20 0.38
FFAR1 O14842 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL8178730 0.93 ALDH1A1 (0.48) ALDH1A1L3MBTL1TDP1LMNAHRH3
SCHEMBL8188008 0.81 HRH4 (0.47) ALDH1A1L3MBTL1TDP1LMNAHRH3
SCHEMBL8192767 0.78 HRH3 (0.47) L3MBTL1TDP1HRH3HRH4ALOX5
SCHEMBL8219799 0.78 LTA4H (0.42) LMNANPC1ALOX5PPARG
SCHEMBL28461120 0.78 ALDH1A1 (0.61) ALDH1A1L3MBTL1TDP1LMNANAAA
SCHEMBL755347 0.77 ALDH1A1 (0.69) ALDH1A1L3MBTL1TDP1LMNANAAA
SCHEMBL8187213 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1LMNAHRH3
SCHEMBL17459104 0.76 ALDH1A1 (0.67) ALDH1A1L3MBTL1TDP1LMNANAAA
SCHEMBL8186168 0.75 L3MBTL1 (0.50) ALDH1A1L3MBTL1TDP1LMNAHRH3
SCHEMBL8187353 0.72 FAAH (0.39) ALDH1A1L3MBTL1TDP1HRH3HRH4

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