SCHEMBL6877688

SCHEMBL6877688

O=C(c1ccccc1)C(F)(F)S(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.57
HSD11B1 P28845 5/20 0.42
KAT6A Q92794 2/20 0.42
MLYCD O95822 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CES2 O00748 1/20 0.39
HTR6 P50406 1/20 0.39
SRC P12931 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
SCHEMBL9732330 0.88 HSD11B1 (0.51) CES1HSD11B1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14310498 0.82 CES1 (0.59) CES1HSD11B1KAT6AMLYCDTSHR
SCHEMBL569725 0.82 CES1 (0.59) CES1HSD11B1KAT6AMLYCDTSHR
SCHEMBL28469203 0.81 ALDH1A1 (0.46) CES1HSD11B1TSHRSMN1; SMN2ALDH1A1
SCHEMBL8752330 0.80 CES1 (0.47) CES1HSD11B1KAT6ATSHRSMN1; SMN2
SCHEMBL6880057 0.79 GAA (0.43) CES1HSD11B1KAT6ATSHRSMN1; SMN2
SCHEMBL14539889 0.78 CES1 (0.45) CES1HSD11B1KAT6ATSHRSMN1; SMN2
SCHEMBL6550967 0.78 CES1 (0.45) CES1HSD11B1KAT6ATSHRSMN1; SMN2
SCHEMBL13660331 0.77 CES1 (0.44) CES1HSD11B1KAT6ATSHRSMN1; SMN2
SCHEMBL29393401 0.76 CES1 (0.95) CES1MLYCDTSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824954-B2 DIHALOMETHYL SULFONYLOXIME COMPOUNDS; FOR EXAMPLE, 2,2-DIFLUORO-2-METHYLACETOPHENONE-O-METHYLSULFONYLOXIME; HEAT STABILITY AND STORAGE STABILITY; SENSITIVE TO FAR ULTRAVIOLET RADIATION OR ELECTRON BEAMS; RESISTS JSR CORPORATION (JP) 2004-11-30 US claimed
US-6824954-B2 DIHALOMETHYL SULFONYLOXIME COMPOUNDS; FOR EXAMPLE, 2,2-DIFLUORO-2-METHYLACETOPHENONE-O-METHYLSULFONYLOXIME; HEAT STABILITY AND STORAGE STABILITY; SENSITIVE TO FAR ULTRAVIOLET RADIATION OR ELECTRON BEAMS; RESISTS JSR CORPORATION (JP) 2004-11-30 US disclosed
US-20030113660-A1 Sulfonyloxime compound, and radiation sensitive acid generator, positive type radiation sensitive resin composition and negative type radiation sensitive resin composition using same JSR CORPORATION (JP) 2003-06-19 US disclosed