SCHEMBL7047137

SCHEMBL7047137

CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
SLC2A1 P11166 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PSEN1 P49768 4/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3883692 0.90 SLC2A1 (0.42) SLC2A1L3MBTL1GAATDP1CNR1
Trifluoromethanesulfonic Acid SCHEMBL36280 0.88 SLC2A1 (0.42) SLC2A1L3MBTL1GAATDP1CNR1
Trifluoromethanesulfonic Acid SCHEMBL29354733 0.88 SLC2A1 (0.42) SLC2A1L3MBTL1GAATDP1CNR1
SCHEMBL3872543 0.83 SLC2A1 (0.40) SLC2A1L3MBTL1GAATDP1CNR1
SCHEMBL190939 0.82 SLC2A1 (0.38) SLC2A1L3MBTL1GAATDP1CNR1
SCHEMBL29754149 0.82 SLC2A1 (0.38) SLC2A1L3MBTL1GAATDP1CNR1
Trifluoromethanesulfonic Acid SCHEMBL703652 0.82 KMT2A (0.42) SLC2A1L3MBTL1GAATDP1CNR1
SCHEMBL29429149 0.82 CNR1 (0.45) SLC2A1L3MBTL1GAATDP1CNR1
SCHEMBL106524 0.82 CNR1 (0.45) SLC2A1L3MBTL1GAATDP1CNR1
SCHEMBL448402 0.82 SLC2A1 (0.37) SLC2A1L3MBTL1GAATDP1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed