SCHEMBL3928429

SCHEMBL3928429

Cc1ccc(S(=O)(=O)OCCC(CCl)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
STAT3 P40763 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP24A1 Q07973 1/20 0.33
GAA P10253 1/20 0.33
VDR P11473 1/20 0.32
CA2 P00918 1/20 0.32
AGER Q15109 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
PSMD10 O75832 1/20 0.32

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
SCHEMBL3937816 1.00 CA12 (0.36) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL9290826 0.85 CA12 (0.38) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL20480848 0.80 CA12 (0.38) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL28478643 0.80 CA12 (0.38) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL7340557 0.78 CA12 (0.41) CA12CA9CA1ALDH1A1STAT3
SCHEMBL28477723 0.78 CA12 (0.35) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL20480977 0.78 CA12 (0.35) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL5654835 0.77 STAT3 (0.40) CA12CA9CA1ALDH1A1KMT2A
SCHEMBL3928432 0.76 KMT2A (0.36) CA1ALDH1A1KMT2AMEN1STAT3
SCHEMBL14464952 0.76 ALDH1A1 (0.37) CA12CA9CA1ALDH1A1KMT2A

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-2009011551-A2 PROCESS FOR THE EFFICIENT PREPARATION OF 3-HYDROXY PYRROLIDINE AND DERIVATIVES THEREOF RSTECH CORPORATION (KR) 2009-01-22 WO disclosed