SCHEMBL9081995

SCHEMBL9081995

COC(=O)C=Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
TYR P14679 1/20 0.64
CA7 P43166 1/20 0.64
CA14 Q9ULX7 1/20 0.64
MAOB P27338 1/20 0.56
PTPN1 P18031 1/20 0.55
TTR P02766 1/20 0.54
APP P05067 1/20 0.54
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 3/20 0.49
PTGS2 P35354 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
JAK2 O60674 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9312488 0.86 CA2 (0.64) CA12CA1CA2CA9TYR
SCHEMBL71224 0.85 CA12 (0.84) CA12CA1CA2CA9TYR
SCHEMBL5057418 0.85 CA12 (0.84) CA12CA1CA2CA9TYR
SCHEMBL28435747 0.85 CA2 (0.62) CA12CA1CA2CA9TYR
SCHEMBL28041658 0.85 CA2 (0.62) CA12CA1CA2CA9TYR
SCHEMBL28207122 0.85 CA2 (0.62) CA12CA1CA2CA9TYR
SCHEMBL19122351 0.85 CA2 (0.62) CA12CA1CA2CA9TYR
SCHEMBL5216422 0.82 CA12 (0.67) CA12CA1CA2CA9CA7
SCHEMBL5216407 0.82 CA12 (0.67) CA12CA1CA2CA9CA7
SCHEMBL11700837 0.82 MAOB (0.63) CA2TYRMAOBPTGS2MAPT

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
WO-1996040982-A1 THERAPEUTIC INHIBITION OF PHOSPHOLIPASE A2 IN NEURODEGENERATIVE DISEASE ATHENA NEUROSCIENCES, INC. (US) 1996-12-19 WO disclosed