SCHEMBL28052256

SCHEMBL28052256

O=C(O)c1ccc(C(=O)OCC(F)(F)C(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.44
CFTR P13569 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.40
SRD5A2 P31213 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
SCHEMBL1496818 0.93 NPSR1 (0.51) ALDH1A1NPSR1MAPTMAPK1HIF1A
SCHEMBL1995192 0.88 MAPK1 (0.62) ALDH1A1NPSR1MAPK1HIF1AMEN1
SCHEMBL28052305 0.84 NPSR1 (0.63) ALDH1A1NPSR1MAPTMAPK1HIF1A
SCHEMBL9560760 0.80 LMNA (0.49) ALDH1A1NPSR1MAPTMAPK1MEN1
SCHEMBL9745973 0.80 HTT (0.56) ALDH1A1NPSR1MAPTMAPK1KMT2A
SCHEMBL8506029 0.78 MAPK1 (0.74) ALDH1A1MAPTMAPK1HIF1AMEN1
SCHEMBL9560308 0.77 MAPT (0.43) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL9560983 0.77 GAA (0.49) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL12473951 0.75 MAPK1 (0.46) ALDH1A1MAPTMAPK1HIF1ATDP1
SCHEMBL14577233 0.75 MAPK1 (0.59) ALDH1A1NPSR1MAPK1HIF1AMEN1

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
CN-103403057-B The manufacture method of polyester and fluorine-containing di-carboxylic acid ester cpds ASAHI GLASS CO.,LTD. (JP) 2016-01-20 CN disclosed