SCHEMBL6437129

SCHEMBL6437129

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.58
PDE4B Q07343 1/20 0.54
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 2/20 0.44
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

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
SCHEMBL6439692 0.93 PDE4B (0.53) PPARAPDE4BMAPTL3MBTL1FFAR1
SCHEMBL6438739 0.93 PDE4B (0.53) PPARAPDE4BMAPTL3MBTL1FFAR1
SCHEMBL9730131 0.90 PPARA (0.69) PPARAPDE4BMAPTLMNAL3MBTL1
SCHEMBL6438671 0.88 PPARA (0.57) PPARAPDE4BMAPTL3MBTL1FFAR1
SCHEMBL6437795 0.85 MAPT (0.47) PPARAMAPTLMNAL3MBTL1PPARG
SCHEMBL6438767 0.85 HDAC1 (0.48) PPARAPDE4BMAPTL3MBTL1FFAR1
SCHEMBL6437472 0.84 PPARA (0.55) PPARAMAPTFFAR1FFAR4PPARG
SCHEMBL8029095 0.83 PDE4B (0.64) PPARAPDE4BMAPTL3MBTL1FFAR1
SCHEMBL13940016 0.82 L3MBTL1 (0.66) PPARAL3MBTL1FFAR4PPARGHPGD
SCHEMBL7086688 0.82 PPARA (0.56) PPARAFFAR1FFAR4PPARGMEN1

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