SCHEMBL5153377

SCHEMBL5153377

Cc1ccc(S(=O)(=O)c2cc(O)c(O)c(OC(C)(C)C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
COMT P21964 5/20 0.46
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5153996 0.83 GAA (0.52) GAACOMTHTTMEN1KMT2A
SCHEMBL5153485 0.82 GAA (0.64) GAACOMTHTTMEN1KMT2A
SCHEMBL6847517 0.79 COMT (0.49) GAACOMTHTTMEN1KMT2A
SCHEMBL5150340 0.77 COMT (0.47) GAACOMTHTTALDH1A1L3MBTL1
SCHEMBL5154045 0.76 COMT (0.46) GAACOMTHTTMEN1KMT2A
SCHEMBL21540971 0.74 GAA (0.61) GAAHTTMEN1KMT2AALDH1A1
SCHEMBL4869370 0.73 GAA (0.50) GAACOMTKMT2AALDH1A1L3MBTL1
SCHEMBL4861734 0.72 GAA (0.46) GAACOMTMEN1KMT2AALDH1A1
SCHEMBL312194 0.72 GAA (0.64) GAACOMTMEN1KMT2AALDH1A1
SCHEMBL28113649 0.71 GAA (0.57) GAACOMTHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1245403-B1 Thermographic recording material with improved image tone. AGFA GEVAERT (BE) 2007-01-03 EP disclosed
US-6774084-B2 BLACK AND WHITE LIGHT-INSENSITIVE THERMOGRAPHIC RECORDING MEDIA COMPRISING A THERMOSENSITIVE ELEMENT HAVING ORGANIC SILVER SALT, A 1,2-DIHYDROXYBENZENE CONTAINING AN ESTER OR SULFOXIDE GROUP AND BINDER; COVERING POWER; STORAGE STABILITY AGFA-GEVAERT (BE) 2004-08-10 US disclosed