SCHEMBL4753758

SCHEMBL4753758

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 3/20 0.41
CA7 P43166 2/20 0.41
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GBA1 P04062 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
VDR P11473 1/20 0.39
LMNA P02545 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
SCHEMBL4753667 0.93 GAA (0.45) GAACA2CA1CA9CA7
SCHEMBL4757045 0.93 GAA (0.45) GAACA2CA1CA9CA7
SCHEMBL4753668 0.93 GAA (0.45) GAACA2CA1CA9CA7
SCHEMBL8056281 0.86 GAA (0.42) GAACA2CA1CA9CA7
SCHEMBL777474 0.85 GAA (0.45) GAACA2CA1CA9CA7
SCHEMBL2176311 0.85 GAA (0.45) GAACA2CA1CA9CA7
SCHEMBL15607867 0.85 GBA1 (0.41) GAACA2CA1CA9CA7
SCHEMBL14978032 0.84 DHODH (0.40) GAACA2CA1CA9STAT3
SCHEMBL16790531 0.82 STAT3 (0.37) GAACA2CA1CA9CA7
SCHEMBL21114486 0.82 GAA (0.42) GAACA2CA1CA9CA7

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-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed