SCHEMBL6439701

SCHEMBL6439701

CC(C)(C)OC(=O)CCCOc1ccc(C(=O)c2ccc(OCCCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.54
ELANE P08246 2/20 0.53
L3MBTL1 Q9Y468 4/20 0.49
GAA P10253 2/20 0.47
PPARG P37231 2/20 0.47
HDAC8 Q9BY41 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
PLA2G4B P0C869 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43

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
SCHEMBL6440120 0.94 MAPT (0.54) PPARAELANEL3MBTL1PPARGMAPT
SCHEMBL6440664 0.94 PPARA (0.63) PPARAELANEL3MBTL1GAAPPARG
SCHEMBL18720317 0.89 PLA2G4B (0.57) L3MBTL1PLA2G4BMAPK1HTT
SCHEMBL6439367 0.89 MAPT (0.51) PPARAELANEL3MBTL1GAAHDAC8
SCHEMBL6438647 0.89 PPARA (0.66) PPARAL3MBTL1GAAPPARGMAPT
SCHEMBL6437795 0.87 MAPT (0.47) PPARAELANEL3MBTL1PPARGMAPT
SCHEMBL25367299 0.86 L3MBTL1 (0.56) PPARAL3MBTL1HDAC8HTT
SCHEMBL6439921 0.85 PPARA (0.51) PPARAELANEL3MBTL1GAAPPARG
SCHEMBL25363631 0.84 POLB (0.54) GAAHDAC8MAPTLMNA
SCHEMBL7472706 0.84 HDAC8 (0.48) L3MBTL1GAAHDAC8

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-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 EP disclosed