SCHEMBL3877549

SCHEMBL3877549

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
BCHE P06276 1/20 0.34
HSD11B1 P28845 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK2 Q15119 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ALDH1A1 P00352 2/20 0.32
IKBKB O14920 1/20 0.32

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
SCHEMBL15754304 0.80 CES2 (0.39) PTPN1CES2CES1PKMPKLR
SCHEMBL3872136 0.79 PTPN1 (0.37) PTPN1CES2CES1PKMPKLR
SCHEMBL3872271 0.78 PTPN1 (0.42) PTPN1CES2CES1PKMPKLR
SCHEMBL10675609 0.77 PTPN1 (0.43) PTPN1CES2CES1HSD11B1CA1
SCHEMBL11588717 0.74 PTPN1 (0.36) PTPN1CA1CA2ALDH1A1TSHR
SCHEMBL3190673 0.74 SLC22A12 (0.39) PTPN1CES2CES1HSD11B1ESR1
SCHEMBL11591168 0.74 PTPN1 (0.41) PTPN1CES1CA1CA2CA5A
SCHEMBL2437086 0.72 PTPN1 (0.35) PTPN1CA1CA2ALDH1A1
SCHEMBL3877025 0.69 PTPN1 (0.36) PTPN1CES2CES1PKMPKLR
SCHEMBL13807228 0.69 PKM (0.40) PTPN1CES2CES1PKMPKLR

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