SCHEMBL6437795

SCHEMBL6437795

COc1ccc(C(=O)c2ccc(C(O)(c3ccc(OCCCC(=O)OC(C)(C)C)cc3)c3ccc(OCCCC(=O)OC(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
PPARA Q07869 3/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ELANE P08246 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13939381 0.94 ALDH1A1 (0.46) MAPTPPARAALDH1A1LMNAMAPK1
SCHEMBL6440120 0.93 MAPT (0.54) MAPTPPARALMNAMAPK1PPARG
SCHEMBL6440953 0.89 HDAC8 (0.45) MAPTPPARAALDH1A1RECQLPPARG
SCHEMBL6439367 0.88 MAPT (0.51) MAPTPPARALMNAMAPK1HRH2
SCHEMBL6439701 0.87 PPARA (0.54) MAPTPPARALMNAMAPK1PPARG
SCHEMBL6441754 0.86 HDAC1 (0.44) MAPTALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL6437129 0.85 PPARA (0.58) MAPTPPARALMNAMAPK1PPARG
SCHEMBL6438658 0.85 HDAC1 (0.44) MAPTALDH1A1LMNAL3MBTL1NPC1
SCHEMBL6440664 0.82 PPARA (0.63) MAPTPPARAALDH1A1LMNAMAPK1
SCHEMBL13939396 0.81 ALDH1A1 (0.44) MAPTALDH1A1LMNAL3MBTL1HPGD

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