SCHEMBL1822253

SCHEMBL1822253

CCC(C(=O)O)c1ccccc1OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
GLA P06280 1/20 0.38
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
AKR1C1 Q04828 1/20 0.35
PTGS1 P23219 1/20 0.35
LMNA P02545 2/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL2830617 0.85 L3MBTL1 (0.38) ALDH1A1L3MBTL1HTTTDP1POLB
SCHEMBL1821345 0.85 MAPT (0.46) ALDH1A1L3MBTL1HTTTDP1LMNA
SCHEMBL1999919 0.82 POLB (0.53) ALDH1A1L3MBTL1HTTTDP1POLB
SCHEMBL29889833 0.82 POLB (0.53) ALDH1A1L3MBTL1HTTTDP1POLB
SCHEMBL1825878 0.81 LMNA (0.48) ALDH1A1HTTTDP1NPSR1LMNA
SCHEMBL28222557 0.81 L3MBTL1 (0.54) ALDH1A1L3MBTL1GLATDP1POLB
SCHEMBL1824964 0.80 LMNA (0.36) ALDH1A1L3MBTL1TDP1POLBLMNA
SCHEMBL11101537 0.80 MMP2 (0.47) AKR1C3AKR1C2PTGS1KMT2A
SCHEMBL2839036 0.80 MMP2 (0.47) AKR1C3AKR1C2PTGS1KMT2A
SCHEMBL1827334 0.78 TSHR (0.47) ALDH1A1L3MBTL1HTTLMNAKDM4E

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
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed