SCHEMBL3870958

SCHEMBL3870958

O=S(=O)(O)C(F)(F)C(F)(F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KIF11 P52732 6/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 2/20 0.42
EPHX2 P34913 1/20 0.41
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
HSD11B1 P28845 1/20 0.40
MGLL Q99685 1/20 0.40
SRD5A2 P31213 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3873862 0.83 PTPN1 (0.49) CES1CA1CA2CA9HSD11B1
SCHEMBL16626119 0.79 TDP1 (0.48) KMT2AMEN1MAPT
SCHEMBL16626121 0.79 CES2 (0.34) CES2CES1HSD11B1SRD5A2KMT2A
SCHEMBL3869513 0.77 PTPN1 (0.53) CES2CES1KIF11CA1CA2
SCHEMBL3870998 0.76 KCNN4 (0.40) CES2CES1KIF11CA1CA2
SCHEMBL14184906 0.76 ABL1 (0.44) KIF11
Trifluoromethanesulfonic Acid SCHEMBL28383106 0.74 KIF11 (0.61) CES2CES1KIF11CA1CA2
SCHEMBL3869881 0.74 PTPN1 (0.53) CES2CES1KIF11CA1CA2
SCHEMBL230582 0.73 KIF11 (0.55) CES2CES1KIF11CA1CA2
SCHEMBL16626100 0.72 ALDH1A1 (0.56) CES2CES1KIF11EPHX2ORAI1

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