SCHEMBL3868759

SCHEMBL3868759

O=Cc1ccc(S(=O)(=O)CO)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 7/20 0.38
GAA P10253 1/20 0.37
CA1 P00915 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CA2 P00918 1/20 0.32
STAT1 P42224 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL14158412 0.81 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL511774 0.78 CA1 (0.50) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL11708793 0.76 CA1 (0.49) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL1487076 0.76 CA1 (0.49) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL8731415 0.74 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL5089061 0.74 GAA (0.45) ALDH1A1TSHRL3MBTL1HTTKDM4E
Potassium Ion SCHEMBL11708784 0.72 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL1487077 0.72 CA12 (0.47) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL16646001 0.69 GAA (0.41) ALDH1A1TSHRL3MBTL1HTTKDM4E
SCHEMBL21334358 0.69 GAA (0.41) ALDH1A1TSHRL3MBTL1HTTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718275-A1 UTILIZING A MULTIPHASE REACTOR FOR THE CONVERSION OF BIOMASS TO PRODUCE SUBSTITUTED FURANS Micromidas, Inc. (US) 2014-04-16 EP disclosed
WO-2012170520-A1 UTILIZING A MULTIPHASE REACTOR FOR THE CONVERSION OF BIOMASS TO PRODUCE SUBSTITUTED FURANS MICROMIDAS INC. (US) 2012-12-13 WO disclosed
WO-2009120182-A2 SULFO-POLYMER POWDER AND SULFO-POLYMER POWDER BLENDS WITH CARRIERS AND/OR ACTIVES EASTMAN CHEMICAL COMPANY (US) 2009-10-01 WO disclosed