SCHEMBL5384433

SCHEMBL5384433

O=S(=O)(OS1(c2ccccc2)CCCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
PTGS1 P23219 2/20 0.37
KIF11 P52732 2/20 0.36
ENPP3 O14638 4/20 0.36
ENPP1 P22413 3/20 0.36
ENPP2 Q13822 3/20 0.36
HSD11B1 P28845 2/20 0.36
AR P10275 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
EEF2K O00418 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
SCHEMBL5391329 0.85 GAA (0.43) L3MBTL1ENPP3ENPP1ALDH1A1TSHR
SCHEMBL5383925 0.81 KMT2A (0.42) HSD11B1ALDH1A1KEAP1NFE2L2
SCHEMBL36384 0.81 GAA (0.34)
SCHEMBL7158788 0.74 SCN8A (0.34) PTGS2L3MBTL1PTGS1ENPP3ENPP1
SCHEMBL7047138 0.72 PTGS2 (0.39) PTGS2L3MBTL1AR
SCHEMBL27621077 0.69 ENPP3 (0.54) PTGS2L3MBTL1KIF11ENPP3ENPP1
SCHEMBL28648632 0.69 KMT2A (0.57) PTGS2L3MBTL1HSD11B1ARKEAP1
SCHEMBL503702 0.68 HSD11B1 (0.45) PTGS2L3MBTL1KIF11ENPP3ENPP1
SCHEMBL3132687 0.68 HSD11B1 (0.45) PTGS2L3MBTL1KIF11ENPP3ENPP1
SCHEMBL3139775 0.68 HSD11B1 (0.45) PTGS2L3MBTL1KIF11ENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed