SCHEMBL6439367

SCHEMBL6439367

COc1ccc(C(=O)c2ccc(OCCCCCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
PPARA Q07869 2/20 0.51
GAA P10253 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
ELANE P08246 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 3/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
LSS P48449 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 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 0.95 MAPT (0.54) MAPTPPARAELANEL3MBTL1LMNA
SCHEMBL6438647 0.90 PPARA (0.66) MAPTPPARAGAAL3MBTL1LMNA
SCHEMBL6439701 0.89 PPARA (0.54) MAPTPPARAGAAHDAC8ELANE
SCHEMBL6437795 0.88 MAPT (0.47) MAPTPPARAELANEL3MBTL1LMNA
SCHEMBL6440953 0.86 HDAC8 (0.45) MAPTPPARAGAAHDAC8L3MBTL1
SCHEMBL6440664 0.84 PPARA (0.63) MAPTPPARAGAAELANEL3MBTL1
SCHEMBL6438658 0.82 HDAC1 (0.44) MAPTHDAC8L3MBTL1LMNAMEN1
SCHEMBL29135410 0.81 HDAC8 (0.49) GAAHDAC8L3MBTL1HTT
SCHEMBL25810589 0.81 HDAC8 (0.49) GAAHDAC8L3MBTL1RAB9ALSS
SCHEMBL9729899 0.80 MAPT (0.59) MAPTPPARAGAAL3MBTL1LMNA

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