SCHEMBL4731012

SCHEMBL4731012

CS(=O)(=O)OC(C=O)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
AOC3 Q16853 2/20 0.36
MMP9 P14780 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL4728806 0.80 HTT (0.43) UGT2B7MEN1KMT2AL3MBTL1LMNA
SCHEMBL19717861 0.80 KMT2A (0.37) MEN1KMT2ASLC6A2LMNACYP2D6
SCHEMBL1713701 0.79 UGT2B7 (0.50) UGT2B7MEN1KMT2AATMCA1
SCHEMBL4730751 0.77 CHRM2 (0.44) MEN1KMT2AAOC3L3MBTL1
SCHEMBL4732288 0.76 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3LMNACYP2D6
SCHEMBL4731661 0.76 CA1 (0.42) KMT2ACA1CA2CA9L3MBTL1
SCHEMBL8673514 0.76 UGT2B7 (0.42) UGT2B7MEN1KMT2AATMAOC3
SCHEMBL4728454 0.75 ACP3 (0.36) AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL1702036 0.75 AKR1C3 (0.47) UGT2B7MEN1KMT2AAOC3MMP9
SCHEMBL15862626 0.74 SLC6A3 (0.44) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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-2008054155-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 WO disclosed