SCHEMBL3882398

SCHEMBL3882398

O=S(=O)(O)C(F)(F)C(F)(F)c1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
BCHE P06276 1/20 0.37
SLC22A12 Q96S37 3/20 0.34
PTPN1 P18031 2/20 0.34
KAT6A Q92794 3/20 0.33
HSD11B1 P28845 1/20 0.32
KCNN4 O15554 2/20 0.31
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PTGS2 P35354 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.30
HPGD P15428 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
SCHEMBL3872271 0.81 PTPN1 (0.42) CES2CES1BCHESLC22A12PTPN1
SCHEMBL15754654 0.79 CES2 (0.41) CES2CES1BCHESLC22A12PTPN1
SCHEMBL3872136 0.79 PTPN1 (0.37) CES2CES1BCHESLC22A12PTPN1
SCHEMBL3876388 0.75 KDM4E (0.43) PTPN1HSD11B1CA1CA2CA9
SCHEMBL29133498 0.75 CES2 (0.34) CES2CES1BCHESLC22A12PTPN1
SCHEMBL10925749 0.73 CES2 (0.42) CES2CES1BCHEKAT6AHSD11B1
SCHEMBL27697830 0.72 SLC22A12 (0.44) CES2CES1BCHESLC22A12KAT6A
SCHEMBL3883648 0.71 KCNN4 (0.41) CES2CES1PTPN1KCNN4CA9
SCHEMBL3870950 0.71 PTPN1 (0.37) CES2CES1SLC22A12PTPN1KCNN4
SCHEMBL13807228 0.70 PKM (0.40) CES2CES1BCHEPTPN1KAT6A

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