SCHEMBL10508451

SCHEMBL10508451

CCOC(=O)CN(CC(=O)OCC)Cc1cc(CCC(=O)Cc2ccccc2)cc(CN(CC(=O)OCC)CC(=O)OCC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ABCB1 P08183 1/20 0.41
ALOX5 P09917 2/20 0.40
PIN1 Q13526 1/20 0.39
LTA4H P09960 3/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL8219799 0.80 LTA4H (0.42) ALOX5PIN1LTA4HPPARGPPARD
SCHEMBL10508455 0.80 PIN1 (0.38) L3MBTL1ALOX5PIN1LTA4HPPARG
SCHEMBL8190164 0.77 CYP4A11 (0.43) ALOX5PIN1LTA4HPPARGPPARA
SCHEMBL8225522 0.76 PPIB (0.42) LTA4HPPARGNPC1RAB9ASMN1; SMN2
SCHEMBL3184733 0.74 ALDH1A1 (0.54) L3MBTL1ALOX5PIN1LTA4HNPC1
SCHEMBL8186540 0.74 PPARA (0.39) ALOX5PIN1PPARGPPARASMN1; SMN2
SCHEMBL10646715 0.73 TDP1 (0.54) L3MBTL1TDP1ABCB1ALOX5LTA4H
SCHEMBL254781 0.73 ALDH1A1 (0.53) L3MBTL1ALOX5PIN1LTA4HNPC1
SCHEMBL8229645 0.73 RAB9A (0.46) L3MBTL1TDP1RAB9ASMN1; SMN2KMT2A
SCHEMBL8191568 0.72 MEN1 (0.49) L3MBTL1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298939-A1 Metal-chelating 2,6-disubstituted pyridine compounds and their use WALLAC OY (FI) 1989-01-11 EP disclosed