SCHEMBL3282607

SCHEMBL3282607

CCCOC(=O)CC(CC(=O)OCCC)(OO)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
ALDH1A1 P00352 4/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3288997 0.87 NAAA (0.52) NAAADGKAALDH1A1HCAR2TP53
SCHEMBL3281819 0.86 NAAA (0.55) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL25145344 0.85 HCAR2 (0.37) NAAADGKAALDH1A1PPM1BPTPN1
SCHEMBL2187425 0.81 ALDH1A1 (0.35) NAAADGKAALDH1A1PPM1BPTPN1
SCHEMBL2910833 0.81 NAAA (0.40) NAAADGKAALDH1A1PPM1BPTPN1
SCHEMBL2911788 0.80 ALDH1A1 (0.38) NAAADGKAALDH1A1PPM1BPTPN1
SCHEMBL6343837 0.80 ALDH1A1 (0.37) NAAADGKAALDH1A1PPM1BPTPN1
SCHEMBL3282924 0.80 GAA (0.44) ALDH1A1LMNA
SCHEMBL29033466 0.79 CYP1A2 (0.42) ALDH1A1
SCHEMBL28499700 0.78 NAAA (0.37) NAAADGKAALDH1A1LMNATP53

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