SCHEMBL5157374

SCHEMBL5157374

CCc1ccc(S(=O)(=O)c2cc(O)c(O)c(OC)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA2 P00918 1/20 0.45
PTGS2 P35354 2/20 0.43
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
AKR1B1 P15121 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
PTGS1 P23219 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL5153902 0.88 CA2 (0.53) POLBCA2PTGS2GAAPTGS1
SCHEMBL5153996 0.83 GAA (0.52) TSHRMAPK1POLBHTTNPSR1
SCHEMBL9644980 0.81 MAPK1 (0.73) TSHRMAPK1POLBHTTNPSR1
SCHEMBL9644978 0.78 TRPA1 (0.57) POLBCA2GAA
SCHEMBL9490711 0.77 POLB (0.57) TSHRMAPK1POLBHTTCA2
SCHEMBL5153447 0.75 CA2 (0.56) HTTCA2
SCHEMBL678812 0.75 CA2 (0.67) TSHRMAPK1POLBCA2PKM
SCHEMBL18715600 0.74 PKM (0.73) TSHRHTTCA2PKMGAA
SCHEMBL6847517 0.73 COMT (0.49) TSHRPOLBHTTNPSR1PTGS2
SCHEMBL1615615 0.73 CA2 (0.55) MAPK1POLBCA2PKMGAA

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