SCHEMBL5154045

SCHEMBL5154045

CCCCOc1cc(S(=O)(=O)c2ccc(C)cc2)cc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.46
GAA P10253 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TSHR P16473 1/20 0.43
CA7 P43166 1/20 0.43
S1PR3 Q99500 1/20 0.42
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WDR5 P61964 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 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
SCHEMBL5150340 0.93 COMT (0.47) COMTGAACA12CA1CA2
SCHEMBL6847517 0.87 COMT (0.49) COMTGAATSHRHTTSMN1; SMN2
SCHEMBL5153996 0.80 GAA (0.52) COMTGAACA2TSHRHTT
SCHEMBL5153485 0.79 GAA (0.64) COMTGAACA12CA1CA2
SCHEMBL5153377 0.76 GAA (0.47) COMTGAACA2HTTSMN1; SMN2
SCHEMBL4619719 0.74 SMPD1 (0.57) CA12CA1CA2CA9TSHR
SCHEMBL9659593 0.74 ESR1 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL12341769 0.71 HTT (0.47) TSHRS1PR3HTTSMN1; SMN2L3MBTL1
SCHEMBL5157374 0.70 TSHR (0.47) GAACA2TSHRHTTNPSR1
SCHEMBL10976469 0.70 ESR1 (0.44) GAATSHRSMN1; SMN2ALDH1A1POLB

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