SCHEMBL9324650

SCHEMBL9324650

CCCCCS(=O)(=O)O.O=C(O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
FAAH O00519 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 4/20 0.43
APP P05067 1/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 1/20 0.40
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39

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
Bicarbonate SCHEMBL28303753 0.91 EPHX2 (0.53) EPHX2FAAHALDH1A1TSHRAPP
Acetic Acid SCHEMBL11049476 0.88 EPHX2 (0.51) EPHX2FAAHALDH1A1TSHRAPP
SCHEMBL11336 0.88
Acetic Acid SCHEMBL29064775 0.86 EPHX2 (0.54) EPHX2FAAHALDH1A1TSHRAPP
SCHEMBL151083 0.85 FAAH (0.56) EPHX2FAAHTSHRAPPCES2
SCHEMBL304724 0.85 FAAH (0.56) EPHX2FAAHTSHRAPPCES2
Butane SCHEMBL9979188 0.85 EPHX2 (0.52) EPHX2FAAHAPPTP53CES2
Ammonia Solution, Strong SCHEMBL2547477 0.85 EPHX2 (0.52) EPHX2FAAHAPPTP53CES2
SCHEMBL22608765 0.85 FAAH (0.56) EPHX2FAAHTSHRAPPCES2
Fluoride SCHEMBL1273572 0.85 EPHX2 (0.52) EPHX2FAAHAPPTP53CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415473-B1 Process for preparing sulphophenyl carbonate esters UNILEVER NV (NL) 1994-02-09 EP claimed
EP-0415473-A1 Process for preparing sulphophenyl carbonate esters UNILEVER N.V. (NL) 1991-03-06 EP claimed
US-4985561-A Sulfur trioxide sulfonation of aromatic chloroformates LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-01-15 US claimed
EP-0415473-B1 Process for preparing sulphophenyl carbonate esters UNILEVER NV (NL) 1994-02-09 EP disclosed
US-5175333-A Bleach percursors LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-12-29 US disclosed
US-5153348-A Ester exchanging a choline salt with carbonate esters in aprotic solvents and solidification LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-10-06 US disclosed
EP-0475512-A1 Process for preparing quaternary ammonium carbonate esters UNILEVER N.V. (NL) 1992-03-18 EP disclosed
EP-0475513-A1 Process for preparing quaternary ammonium carbonate esters UNILEVER N.V. (NL) 1992-03-18 EP disclosed
EP-0415473-A1 Process for preparing sulphophenyl carbonate esters UNILEVER N.V. (NL) 1991-03-06 EP disclosed
US-4985561-A Sulfur trioxide sulfonation of aromatic chloroformates LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-01-15 US disclosed