SCHEMBL20224967

SCHEMBL20224967

O=C(CCc1ccc(S(=O)(=O)O)cc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
APP P05067 1/20 0.48
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CASP1 P29466 1/20 0.46
POLB P06746 1/20 0.46
NOTUM Q6P988 1/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.44
GAA P10253 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
SCHEMBL304176 0.86 TDP1 (0.78) TDP1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL28207503 0.84 TDP1 (0.75) TDP1LMNAALDH1A1MAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL28588274 0.84 TDP1 (0.75) TDP1LMNAALDH1A1MAPK1L3MBTL1
Bicarbonate SCHEMBL7699565 0.84 TDP1 (0.75) TDP1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL305392 0.83 TDP1 (0.68) TDP1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL3708328 0.81 TDP1 (0.66) TDP1ALDH1A1MAPK1L3MBTL1APP
SCHEMBL717926 0.81 LMNA (0.68) LMNAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL18281078 0.81 LMNA (0.68) LMNAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL20824921 0.80 TDP1 (0.64) TDP1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL22162624 0.80 TDP1 (0.64) TDP1ALDH1A1MAPK1L3MBTL1APP

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