SCHEMBL28052305

SCHEMBL28052305

O=C(O)c1cccc(C(=O)OCC(F)(F)C(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.63
ALDH1A1 P00352 3/20 0.63
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.43
LMNA P02545 3/20 0.43
MRGPRX4 Q96LA9 5/20 0.43
NR4A2 P43354 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
RAB9A P51151 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
SCHEMBL1995192 0.86 MAPK1 (0.62) NPSR1ALDH1A1TDP1MAPK1HIF1A
SCHEMBL28052256 0.84 ALDH1A1 (0.50) NPSR1ALDH1A1TDP1MAPK1HIF1A
SCHEMBL1496818 0.81 NPSR1 (0.51) NPSR1ALDH1A1TDP1MAPK1HIF1A
SCHEMBL9988314 0.78 MAPK1 (0.51) ALDH1A1TDP1MAPK1HIF1AKMT2A
SCHEMBL1996803 0.77 MAPT (0.58) NPSR1ALDH1A1TDP1MAPK1HIF1A
SCHEMBL9421257 0.76 TDP1 (0.62) TDP1L3MBTL1KMT2ALMNA
SCHEMBL7700358 0.76 TDP1 (0.52) TDP1MAPK1HIF1AKMT2ANR4A2
SCHEMBL3298195 0.75 MAPK1 (0.47) ALDH1A1TDP1MAPK1HIF1AKMT2A
SCHEMBL10348750 0.75 MAPK1 (0.51) ALDH1A1TDP1MAPK1HIF1AKMT2A
SCHEMBL17978154 0.74 TDP1 (0.50) TDP1MAPK1HIF1ATSHRKMT2A

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