SCHEMBL3872136

SCHEMBL3872136

O=S(=O)(O)C(F)(F)C(F)(F)c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
PKM P14618 2/20 0.33
PKLR P30613 1/20 0.33
BCHE P06276 1/20 0.32
HSD11B1 P28845 1/20 0.32
IKBKB O14920 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ALB P02768 1/20 0.31
ERN1 O75460 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
PDK2 Q15119 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3882398 0.79 CES2 (0.37) PTPN1CES2CES1PKMPKLR
SCHEMBL3877549 0.79 PTPN1 (0.46) PTPN1CES2CES1PKMPKLR
SCHEMBL15754304 0.77 CES2 (0.39) PTPN1CES2CES1PKMPKLR
SCHEMBL13807228 0.74 PKM (0.40) PTPN1CES2CES1PKMPKLR
SCHEMBL3871149 0.74 CA1 (0.32)
SCHEMBL3873862 0.71 PTPN1 (0.49) PTPN1CES1HSD11B1ESR1ESR2
SCHEMBL3190673 0.71 SLC22A12 (0.39) PTPN1CES2CES1HSD11B1ESR1
SCHEMBL3870998 0.69 KCNN4 (0.40) PTPN1CES2CES1HSD11B1SLC22A12
SCHEMBL3883648 0.68 KCNN4 (0.41) PTPN1CES2CES1
SCHEMBL3870950 0.68 PTPN1 (0.37) PTPN1CES2CES1PKMSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed