SCHEMBL10508455

SCHEMBL10508455

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
LTA4H P09960 1/20 0.38
F10 P00742 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARD Q03181 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP8 P22894 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 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) PIN1PPARGPPARALTA4HSMN1; SMN2
SCHEMBL8219799 0.78 LTA4H (0.42) PIN1PPARGPPARALTA4HPPARD
SCHEMBL8190164 0.75 CYP4A11 (0.43) PIN1PPARGPPARALTA4HSMN1; SMN2
SCHEMBL8225522 0.75 PPIB (0.42) PPARGLTA4HSMN1; SMN2LMNAALDH1A1
SCHEMBL3184733 0.72 ALDH1A1 (0.54) PIN1LTA4HSMN1; SMN2LMNAALDH1A1
SCHEMBL8186540 0.72 PPARA (0.39) PIN1PPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL254781 0.71 ALDH1A1 (0.53) PIN1LTA4HSMN1; SMN2LMNAALDH1A1
SCHEMBL8229645 0.71 RAB9A (0.46) SMN1; SMN2LMNAALDH1A1L3MBTL1MAPT
SCHEMBL8191568 0.71 MEN1 (0.49) LMNAALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL12268225 0.70 TRPA1 (0.53) PPARGPPARALMNAALDH1A1POLB

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