SCHEMBL7158786

SCHEMBL7158786

CCCCOc1c(C)cc([S+]2CCCC2)cc1C.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.35
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
GAA P10253 1/20 0.34
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
PPARD Q03181 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL3871384 0.87 ALDH1A1 (0.40) GAATSHRMAPK1RECQLALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL3876850 0.86 KCNH2 (0.34) PTGS2PTGS1TSHRMAPK1RECQL
SCHEMBL3876688 0.81 THRA (0.33) TSHRMAPK1RECQLL3MBTL1
SCHEMBL3871480 0.80 TSHR (0.31) PTGS2PTGS1TSHRMAPK1RECQL
SCHEMBL7047390 0.80 BRD4 (0.45) PTGS2PTGS1GAAALDH1A1
SCHEMBL3873622 0.79 TSHR (0.31) PTGS2PTGS1TSHRMAPK1RECQL
SCHEMBL3872275 0.79 THRA (0.38) TSHRALDH1A1
SCHEMBL3878047 0.78 FAAH (0.32) PTGS2PTGS1TSHRMAPK1RECQL
SCHEMBL3874688 0.78 FFAR4 (0.32) TSHRMAPK1RECQLALDH1A1L3MBTL1
SCHEMBL7047137 0.75 PTGDR2 (0.38) PTGS2GAACACNA1HCACNA1BALDH1A1

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