SCHEMBL3282967

SCHEMBL3282967

O=C(CC(CC(=O)OCc1ccccc1)(OO)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CDC25B P30305 1/20 0.42
TSHR P16473 1/20 0.42
SLC15A1 P46059 2/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL242004 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL1231975 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL2687930 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL23142610 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL4403270 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL1231325 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6868590 0.78 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL3283062 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL28300052 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL3285914 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100172851-A1 Hydroxy-oligocarboxylic esters: effects on nerve and use for cutaneous and mucocutaneous organs or sites YU RUEY J 2010-07-08 US disclosed
US-7709014-B2 Hydroxy-oligocarboxylic esters: effects on nerve and use for cutaneous and mucocutaneous organs or sites YU RUEY J 2010-05-04 US disclosed
EP-1937246-A2 HYDROXY-OLIGOCARBOXYLIC ESTERS: EFFECTS ON NERVE AND USE FOR CUTANEOUS AND MUCOCUTANEOUS ORGANS OR SITES Yu, Ruey J., Dr. (US) 2008-07-02 EP disclosed
US-20070093551-A1 Hydroxy-oligocarboxylic esters: effects on nerve and use for cutaneous and mucocutaneous organs or sites YU RUEY J 2007-04-26 US disclosed
WO-2007047486-A2 HYDROXY-OLIGOCARBOXYLIC ESTERS: EFFECTS ON NERVE AND USE FOR CUTANEOUS AND MUCOCUTANEOUS ORGANS OR SITES YU RUEY J (US) 2007-04-26 WO disclosed