SCHEMBL4987686

SCHEMBL4987686

O=S(=O)(c1ccc(O)cc1)c1ccc(CCOCCc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
HTR6 P50406 1/20 0.44
CA2 P00918 5/20 0.44
CA1 P00915 5/20 0.44
ELANE P08246 1/20 0.44
MGLL Q99685 2/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
TYR P14679 1/20 0.41
MET P08581 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL8389404 0.84 ESR1 (0.65) PKMESR1ESR2CA2CA1
SCHEMBL6683308 0.82 CA1 (0.47) GAAPKMESR1ESR2HTR6
Di(Hydroxyethyl)Ether SCHEMBL28083680 0.81 PKM (0.53) GAAPKMESR1CA2CA1
SCHEMBL27616870 0.79 ESR1 (0.48) GAAPKMESR1ESR2HTR6
SCHEMBL10904942 0.77 CA12 (0.66) GAAPKMESR1ESR2CA2
SCHEMBL29724901 0.77 GAA (0.67) GAAPKMHTR6CA2CA1
SCHEMBL3792342 0.77 GAA (0.67) GAAPKMHTR6CA2CA1
SCHEMBL18838 0.77 GAA (0.67) GAAPKMHTR6CA2CA1
SCHEMBL124022 0.77 GAA (0.67) GAAPKMHTR6CA2CA1
SCHEMBL1790037 0.76 GAA (0.58) GAAPKMELANELMNAALDH1A1

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
US-7390771-B2 Recording material and recording sheet NIPPON SODA CO., LTD. (JP) 2008-06-24 US disclosed
US-20050148468-A1 Recording material and recording sheet NIPPON SODA CO., LTD. (JP) 2005-07-07 US disclosed