SCHEMBL13840904

SCHEMBL13840904

O=C(OCCOCCc1ccccc1)C(F)(F)SOOO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.40
TDP1 Q9NUW8 2/20 0.39
FAAH O00519 3/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2603105 0.93 HCAR2 (0.43) CES1TDP1FAAHHCAR2ESR1
SCHEMBL2603126 0.88 LMNA (0.50) CES1TDP1FAAHLMNANPC1
SCHEMBL13840902 0.86 HDAC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL2602908 0.85 TDP1 (0.43) CES1TDP1HCAR2ESR1ESR2
SCHEMBL14009408 0.82 CES1 (0.45) CES1TDP1FAAHHCAR2ESR1
SCHEMBL2603101 0.82 PTPN1 (0.45) CES1TDP1HCAR2LMNAL3MBTL1
SCHEMBL12972124 0.81 TDP1 (0.49) TDP1ESR1ESR2LMNANPC1
SCHEMBL2602838 0.80 LMNA (0.45) CES1TDP1FAAHLMNANPC1
SCHEMBL13840922 0.80 AKR1B10 (0.43) CES1TDP1HCAR2ESR1ESR2
SCHEMBL13840916 0.80 HDAC1 (0.39) FFAR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527910-B2 Salt suitable for an acid generator and a chemically amplified resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-05 US disclosed
US-20070184382-A1 Salt suitable for an acid generator and a chemically amplified resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-08-09 US disclosed