SCHEMBL4629619

SCHEMBL4629619

CCCCCCCCOC(=O)Oc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.50
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP14 P50281 1/20 0.48
STS P08842 6/20 0.48
ELANE P08246 1/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9352816 1.00 S1PR3 (0.50) S1PR3MMP2MMP9MMP14STS
SCHEMBL9352787 1.00 S1PR3 (0.50) S1PR3MMP2MMP9MMP14STS
SCHEMBL4628634 0.99 S1PR3 (0.49) S1PR3MMP2MMP9MMP14STS
SCHEMBL10499202 0.99 S1PR3 (0.49) S1PR3MMP2MMP9MMP14STS
SCHEMBL8958935 0.99 S1PR3 (0.49) S1PR3MMP2MMP9MMP14STS
SCHEMBL8958816 0.94 MMP2 (0.50) S1PR3MMP2MMP9MMP14STS
SCHEMBL13324371 0.88 DGKA (0.53) S1PR3MMP2MMP9MMP14STS
SCHEMBL7739008 0.88 MMP2 (0.59) S1PR3MMP2MMP9MMP14STS
SCHEMBL10499208 0.87 MMP2 (0.47) MMP2MMP9MMP14STSELANE
SCHEMBL4628639 0.87 MMP2 (0.47) MMP2MMP9MMP14STSELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1563048-B1 PROCESS OF REMOVING STAINS RECKITT BENCKISER NV (NL) 2008-05-07 EP claimed
EP-0402339-B1 Improved process for the production of carbonate esters MONSANTO CO (US) 1994-10-05 EP claimed
EP-0402339-A1 Improved process for the production of carbonate esters MONSANTO COMPANY (US) 1990-12-12 EP claimed
EP-1563048-A1 PROCESS OF REMOVING STAINS Reckitt Benckiser N.V. (NL) 2005-08-17 EP disclosed
WO-2004048507-A1 PROCESS OF REMOVING STAINS RECKITT BENCKISER N.V. (NL) 2004-06-10 WO disclosed
EP-0202698-B2 P-sulphophenyl alkyl carbonates and their use as bleaching activators AKZO NOBEL NV (NL) 1996-01-24 EP disclosed
EP-0402339-B1 Improved process for the production of carbonate esters MONSANTO CO (US) 1994-10-05 EP disclosed
EP-0414655-B1 Improved process for the production of carbonate esters MONSANTO CO (US) 1993-10-20 EP disclosed
US-5252770-A Process for the production of carbonate esters MONSANTO COMPANY (US) 1993-10-12 US disclosed
US-5183918-A PROCESS FOR THE PRODUCTION OF CARBONATE ESTERS MONSANTO COMPANY (US) 1993-02-02 US disclosed
US-5043089-A Bleach activators AKZO N.V. (NL) 1991-08-27 US disclosed
EP-0414655-A1 Improved process for the production of carbonate esters MONSANTO COMPANY (US) 1991-02-27 EP disclosed
EP-0402339-A1 Improved process for the production of carbonate esters MONSANTO COMPANY (US) 1990-12-12 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
EP-0202698-A1 P-sulphophenyl alkyl carbonates and their use as bleaching activators Akzo Nobel N.V. (NL) 1986-11-26 EP disclosed