SCHEMBL8958816

SCHEMBL8958816

CCCCOC(=O)Oc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.50
MMP14 P50281 3/20 0.50
MMP9 P14780 2/20 0.50
ELANE P08246 2/20 0.47
TSHR P16473 3/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA7 P43166 1/20 0.44
MMP1 P03956 2/20 0.44
STS P08842 7/20 0.43
MMP8 P22894 1/20 0.43
S1PR3 Q99500 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 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
SCHEMBL10499202 0.96 S1PR3 (0.49) MMP2MMP14MMP9ELANETSHR
SCHEMBL8958935 0.96 S1PR3 (0.49) MMP2MMP14MMP9ELANETSHR
SCHEMBL4628634 0.96 S1PR3 (0.49) MMP2MMP14MMP9ELANETSHR
SCHEMBL4629619 0.94 S1PR3 (0.50) MMP2MMP14MMP9ELANETSHR
SCHEMBL9352816 0.94 S1PR3 (0.50) MMP2MMP14MMP9ELANETSHR
SCHEMBL9352787 0.94 S1PR3 (0.50) MMP2MMP14MMP9ELANETSHR
SCHEMBL10775761 0.92 MMP2 (0.57) MMP2MMP14MMP9ELANETSHR
SCHEMBL7739008 0.91 MMP2 (0.59) MMP2MMP14MMP9ELANETSHR
SCHEMBL9763647 0.87 MMP2 (0.43) MMP2MMP14MMP9ELANETSHR
SCHEMBL17416295 0.87 DGKA (0.51) MMP2MMP14MMP9TSHRCA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202698-B2 P-sulphophenyl alkyl carbonates and their use as bleaching activators AKZO NOBEL NV (NL) 1996-01-24 EP disclosed
US-5043089-A Bleach activators AKZO N.V. (NL) 1991-08-27 US disclosed
EP-0210674-B1 P-SULPHOPHENYL CARBONATES AND DETERGENT COMPOSITIONS CONTAINING THEM AKZO N.V. (NL) 1990-05-23 EP disclosed
EP-0202698-B1 P-SULPHOPHENYL ALKYL CARBONATES AND THEIR USE AS BLEACHING ACTIVATORS Akzo Nobel N.V. (NL) 1989-10-25 EP disclosed
US-4686061-A BLEACHING ACTIVATOR AKZO NV (NL) 1987-08-11 US disclosed
EP-0210674-A2 P-sulphophenyl carbonates and detergent compositions containing them AKZO N.V. (NL) 1987-02-04 EP disclosed
EP-0202698-A1 P-sulphophenyl alkyl carbonates and their use as bleaching activators Akzo Nobel N.V. (NL) 1986-11-26 EP disclosed