SCHEMBL9700460

SCHEMBL9700460

CCc1cc(CC)c(S(=O)(=O)F)cc1C=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
SRC P12931 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL9698068 0.79 ALDH1A1 (0.33) ALDH1A1L3MBTL1LMNA
SCHEMBL3133038 0.75 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNASRC
SCHEMBL27373710 0.71 GRIN2D (0.33) L3MBTL1LMNA
SCHEMBL9700422 0.71 GRIA1 (0.41) ALDH1A1L3MBTL1PTGS2
SCHEMBL8492152 0.68 L3MBTL1 (0.44) ALDH1A1L3MBTL1
SCHEMBL9700291 0.67 RAPGEF4 (0.38) ALDH1A1LMNAPTGS2
SCHEMBL4139935 0.67 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNA
SCHEMBL15800618 0.67 ALDH1A1 (0.63) ALDH1A1L3MBTL1LMNA
SCHEMBL28671980 0.66 ALDH1A1 (0.35) ALDH1A1L3MBTL1LMNASRC
SCHEMBL9698086 0.66 SMN1; SMN2 (0.34)

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-5095150-A FORMYLATED ALKLBENZENESULFONYL HALIDE COMPOUND AND PROCESS FOR PREPARING THE SAME AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1992-03-10 US disclosed
US-5030752-A Formylated alkylbenzenesulfonyl halide compound AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1991-07-09 US disclosed