SCHEMBL8669408

SCHEMBL8669408

CC(F)(CO)CCOC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 4/20 0.56
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 2/20 0.46
CYP2D6 P10635 2/20 0.46
ADRB1 P08588 2/20 0.46
SCN1A P35498 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB3 P13945 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL27678799 0.91 LMNA (0.54) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL8351678 0.87 LMNA (0.61) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL21104459 0.87 LMNA (0.61) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL1164342 0.85 LMNA (0.59) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL16213997 0.84 LMNA (0.57) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL6934530 0.83 LMNA (0.65) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL1995169 0.83 TDP1 (0.63) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL11192789 0.83 LMNA (0.56) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL20282186 0.82 LMNA (0.64) LMNATDP1MAPK1HIF1ATSHR
SCHEMBL25339994 0.81 LMNA (0.62) LMNATDP1MAPK1HIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750778-A FLUOROALKANOIC ACIDS AND DERIVATIVES ZENECA LIMITED (GB) 1998-05-12 US disclosed
EP-0468681-B1 Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides ZENECA LTD (GB) 1995-05-24 EP disclosed
EP-0468681-A1 Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides ZENECA LIMITED (GB) 1992-01-29 EP disclosed