SCHEMBL9058916

SCHEMBL9058916

CCOc1cccc(S(=O)(=O)c2cccc(OCC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
KAT6A Q92794 1/20 0.50
NAMPT P43490 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
F2 P00734 1/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL14773591 0.87 TP53 (0.52) TP53CYP3A4KAT6AALDH1A1SMN1; SMN2
SCHEMBL13592998 0.87 TP53 (0.52) TP53CYP3A4KAT6AALDH1A1SMN1; SMN2
SCHEMBL5610156 0.85 KAT6A (0.51) TP53CYP3A4KAT6AALDH1A1SMN1; SMN2
SCHEMBL3283827 0.85 TP53 (0.50) TP53CYP3A4KAT6AALDH1A1SMN1; SMN2
SCHEMBL29469874 0.85 CA1 (0.62) TP53CYP3A4KAT6AKDM4ETSHR
SCHEMBL5610159 0.85 CA1 (0.62) TP53CYP3A4KAT6AKDM4ETSHR
SCHEMBL3492741 0.85 KAT6A (0.51) TP53CYP3A4KAT6AALDH1A1SMN1; SMN2
SCHEMBL24686632 0.84 KAT6A (0.50) TP53CYP3A4KAT6AALDH1A1SMN1; SMN2
SCHEMBL28236411 0.84 TP53 (0.49) TP53CYP3A4KAT6ANAMPTALDH1A1
SCHEMBL13588821 0.82 TP53 (0.47) TP53CYP3A4KAT6AALDH1A1SMN1; SMN2

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-0491661-B1 Process for the hydrophilization of contact lenses CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
US-5408280-A Process for rendering contact lenses hydrophilic CIBA-GEIGY CORPORATION (US) 1995-04-18 US disclosed
EP-0491661-A2 Process for the hydrophilization of contact lenses CIBA-GEIGY AG (CH) 1992-06-24 EP disclosed