SCHEMBL127781

SCHEMBL127781

CCCCCCCCCCCCC(CCO)[N+](C)(C)C(CCO)(CCCS(=O)(=O)O)C(=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.31
EPHX2 P34913 1/20 0.31
PSMD14 O00487 2/20 0.31
PLA2G1B P04054 2/20 0.31
MMP2 P08253 2/20 0.31
ATG4B Q9Y4P1 2/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL8524200 0.84 EPHX2 (0.34) EPHX2
SCHEMBL11133656 0.82
SCHEMBL127826 0.81 HSPD1 (0.37) CA2PSMD14PLA2G1BMMP2ATG4B
SCHEMBL7103900 0.81 HSPD1 (0.37) CA2PSMD14PLA2G1BMMP2ATG4B
SCHEMBL1304102 0.81 CPT2 (0.38) PLA2G1B
SCHEMBL7558816 0.80
SCHEMBL11410243 0.79 CA1 (0.31) TP53CA1
SCHEMBL11128106 0.76 EPHX2 (0.38) EPHX2
SCHEMBL3830783 0.76 DNM1 (0.34) EPHX2
SCHEMBL2842390 0.76 APP (0.31)

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

Appears in 2171 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338324-A1 METHOD FOR TREATING RHEUMATOID ARTHRITIS THE WILLIAM M YARBROUGH FOUNDATION 2023-10-26 US claimed
US-20230263763-A1 METHOD FOR TREATING INFECTIOUS DISEASES WITH ISOTHIOCYANATE FUNCTIONAL COMPOUNDS THE WILLIAM M YARBROUGH FOUNDATION 2023-08-24 US claimed
US-20230255920-A1 METHOD FOR TREATING METASTATIC PROSTATE CANCER THE WILLIAM M YARBROUGH FOUNDATION 2023-08-17 US claimed
EP-3145481-B1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2023-04-19 EP claimed
US-10731109-B2 Post chemical mechanical polishing formulations and method of use ENTEGRIS, INC. (US) 2020-08-04 US claimed
WO-2018191424-A1 POST CHEMICAL MECHANICAL POLISHING FORMULATIONS AND METHOD OF USE ENTEGRIS, INC. (US) 2018-10-18 WO claimed
US-20180291309-A1 POST CHEMICAL MECHANICAL POLISHING FORMULATIONS AND METHOD OF USE TRUIST BANK, AS NOTES COLLATERAL AGENT 2018-10-11 US claimed
WO-2018148612-A1 COMPOSITIONS CONTAINING A FLEXIBLE DERIVED CAPSULE WITH AN ACTIVE AGENT CoLabs International Corporation (US) 2018-08-16 WO claimed
EP-2589640-B1 Foamed gel systems for fracturing subterranean formations, and methods for making and using same CLEARWATER INT LLC (US) 2015-03-04 EP claimed
US-8535651-B2 Water soluble polymer complexes with surfactants WSP CHEMICALS & TECHNOLOGY, LLC (US) 2013-09-17 US claimed
WO-2005099654-A1 WATER SOLUBLE POLYMER COMPLEXES WITH SURFACTANTS WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-10-27 WO claimed
US-6939536-B2 Cosmetic compositions containing water-soluble polymer complexes WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-09-06 US claimed
US-20030064044-A1 Cosmetic compositions containing water-soluble polymer complexes CHEMLOGICS GROUP, LLC 2003-04-03 US claimed
WO-2002083073-A2 COSMETIC COMPOSITIONS CONTAINING WATER-SOLUBLE POLYMER COMPLEXES WSP CHEMICAL & TECHNOLOGY LLC (US) 2002-10-24 WO claimed
US-20020107156-A1 Cleansing compositions PROCTER & GAMBLE COMPANY, THE 2002-08-08 US claimed
EP-1046390-A1 Compositions and methods for cleaning and removing contaminants from hair Calgon Corporation (US) 2000-10-25 EP claimed
WO-1996021711-A2 COLD PEARLIZING CONCENTRATES RHONE-POULENC INC. (US) 1996-07-18 WO claimed
EP-0519942-B1 COSMETIC CLEANSING AGENT BEIERSDORF AG (DE) 1994-10-05 EP claimed
WO-1991013610-A1 COSMETIC CLEANSING AGENT BEIERSDORF AG (DE) 1991-09-19 WO claimed
US-4198285-A Oxidation of hydrocarbon waxes in the presence of sulfobetaines ASHLAND OIL, INC. (US) 1980-04-15 US claimed