SCHEMBL20224993

SCHEMBL20224993

O=C(CCS(=O)(=O)O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
ALDH1A1 P00352 6/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CDC25B P30305 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
NOTUM Q6P988 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1177836 0.83 ALDH1A1 (0.73) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL12103765 0.83 LMNA (0.62) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL24187637 0.82 LMNA (0.49) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28075571 0.82 LMNA (0.58) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL1199453 0.81 LMNA (0.60) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL1201220 0.81 LMNA (0.60) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL1177571 0.80 LMNA (0.47) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL17787490 0.80 LMNA (0.50) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL17787474 0.80 LMNA (0.50) LMNAALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL21669298 0.80 CASP1 (0.50)

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
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed