SCHEMBL5157299

SCHEMBL5157299

CCc1cc(S(=O)(=O)c2ccc(O)c(CC)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
CA2 P00918 6/20 0.53
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
BACE1 P56817 1/20 0.47
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HSD17B1 P14061 1/20 0.44
SERPINE1 P05121 3/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL29599097 1.00 POLB (0.62) POLBGAAMAPTCA2ESR1
SCHEMBL4901587 1.00 POLB (0.62) POLBGAAMAPTCA2ESR1
SCHEMBL8496819 0.93 POLB (0.56) POLBGAAMAPTCA2ESR1
SCHEMBL9661550 0.87 POLB (0.54) POLBGAAMAPTCA2ESR1
SCHEMBL8491364 0.87 PKM (0.60) POLBGAAMAPTCA2HSP90AA1
SCHEMBL13356448 0.87 POLB (0.88) POLBGAAMAPTCA2ESR1
SCHEMBL4899940 0.86 POLB (0.57) POLBGAAMAPTCA2ESR1
SCHEMBL29599655 0.86 POLB (0.57) POLBGAAMAPTCA2ESR1
SCHEMBL4243158 0.86 HSD17B10 (0.55) POLBCA2ESR1ESR2BACE1
SCHEMBL1577726 0.86 ESR1 (0.48) POLBCA2ESR1ESR2BACE1

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-1080939-B1 THERMAL RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2007-01-03 EP claimed
EP-1092553-B1 THERMAL RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2006-09-20 EP claimed
EP-1092552-B1 THERMAL RECORDING MATERIAL JUJO PAPER CO LTD (JP) 2004-09-29 EP claimed