SCHEMBL2037331

SCHEMBL2037331

CCC(=O)OC(=O)CC(=O)OC(=O)CC(=O)OC(=O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.45
ALDH1A1 P00352 2/20 0.42
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
TSHR P16473 4/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
LGALS8 O00214 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SOAT1 P35610 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL7349937 0.97 FFAR3 (0.47) FFAR3ALDH1A1MGAMGAASI
SCHEMBL28590430 0.89 ALDH1A1 (0.50) FFAR3ALDH1A1MGAMGAASI
SCHEMBL10391174 0.89 LDHA (0.50) FFAR3ALDH1A1MGAMGAASI
SCHEMBL28003714 0.86 LDHA (0.47) FFAR3ALDH1A1MGAMGAASI
SCHEMBL28109626 0.86 LDHA (0.47) FFAR3ALDH1A1MGAMGAASI
SCHEMBL819956 0.86 LDHA (0.53) FFAR3ALDH1A1MGAMGAASI
SCHEMBL28727461 0.83 ALDH1A1 (0.46) FFAR3ALDH1A1MGAMGAASI
SCHEMBL27705697 0.83 LDHA (0.50) FFAR3ALDH1A1MGAMGAASI
SCHEMBL27987704 0.83 LDHA (0.50) FFAR3ALDH1A1MGAMGAASI
Propionic Acid SCHEMBL7897446 0.80 FFAR3 (0.62) FFAR3ALDH1A1MGAMGAASI

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
WO-2011068403-A2 NOVEL N-{3-ETHYNYLPHENYLAMINO)-6,7-BIS(2-METHOXYETHOXY)-4-QUINAZOLINAMJNE SALTS ULTIMORPHIX TECHNOLOGIES B.V. (NL) 2011-06-09 WO claimed