SCHEMBL9162896

SCHEMBL9162896

CCCCCCCCCS(=O)(=O)CCC(=O)OO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
FAAH O00519 5/20 0.46
CES2 O00748 3/20 0.46
CA2 P00918 2/20 0.46
DGKA P23743 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL179777 1.00 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL4145774 1.00 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL9165506 1.00 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL9159830 1.00 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL8977140 0.93 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL8977124 0.93 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL179711 0.93 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL8977276 0.93 CES1 (0.46) CES1FAAHCES2CA2DGKA
SCHEMBL9164384 0.92 APEX1 (0.38) CES1FAAHCES2CA2DGKA
SCHEMBL14183111 0.85 CA12 (0.56) CES1FAAHCES2CA2DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378064-B1 Pourable sulfone peroxycarboxylic acid compositions MONSANTO CO (US) 1995-04-12 EP claimed
US-5004558-A Bleaching detergent composition; storage stabiklity; less dye damage MONSANTO COMPANY (US) 1991-04-02 US claimed
EP-0378064-A1 Pourable sulfone peroxycarboxylic acid compositions MONSANTO COMPANY (US) 1990-07-18 EP claimed
EP-0378064-B1 Pourable sulfone peroxycarboxylic acid compositions MONSANTO CO (US) 1995-04-12 EP disclosed