SCHEMBL8517201

SCHEMBL8517201

CCCCCCCCCNCCCCCC(=O)OS(=O)(=O)C1=CC=CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
EPHX2 P34913 2/20 0.33
PPARG P37231 2/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DGKA P23743 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NLRP3 Q96P20 1/20 0.32
DNM1 Q05193 1/20 0.32
NAAA Q02083 1/20 0.32
CA1 P00915 2/20 0.31
LMNA P02545 2/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL7637837 1.00 CA2 (0.35) CA2CA12CA7CA9CA14
SCHEMBL7595507 1.00 CA2 (0.35) CA2CA12CA7CA9CA14
SCHEMBL1401706 0.93 DGKA (0.37) KMT2ASMN1; SMN2DGKATSHRNLRP3
SCHEMBL2162032 0.93 DGKA (0.37) KMT2ASMN1; SMN2DGKATSHRNLRP3
SCHEMBL3249448 0.93 DGKA (0.37) KMT2ASMN1; SMN2DGKATSHRNLRP3
SCHEMBL8333753 0.92 DGKA (0.35) KMT2ASMN1; SMN2DGKATSHRNLRP3
SCHEMBL427665 0.90 ALDH1A1 (0.43) EPHX2ALDH1A1DNM1NAAA
SCHEMBL38842 0.90 ALDH1A1 (0.43) EPHX2ALDH1A1DNM1NAAA
SCHEMBL735670 0.90 ALDH1A1 (0.43) EPHX2ALDH1A1DNM1NAAA
SCHEMBL6524810 0.87 PPARG (0.38) PPARGKMT2ASMN1; SMN2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912714-A1 COATED PARTICLE-CONTAINING, NON-AQUEOUS LIQUID CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP disclosed
EP-0907708-A2 NONAQUEOUS DETERGENT COMPOSITIONS CONTAINING SPECIFIC ALKYL BENZENE SULFONATE SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP disclosed
EP-0907707-A2 NONAQUEOUS DETERGENT COMPOSITIONS CONTAINING BLEACH PRECURSORS THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP disclosed
EP-0907714-A1 PREPARATION OF NON-AQUEOUS, PARTICULATE-CONTAINING LIQUID DETERGENT COMPOSITIONS WITH SURFACTANT-STRUCTURED LIQUID PHASE THE PROCTER & GAMBLE COMPANY (US) 1999-04-14 EP disclosed
WO-1998000516-A1 PREPARATION OF NON-AQUEOUS, PARTICULATE-CONTAINING LIQUID DETERGENT COMPOSITIONS WITH SURFACTANT-STRUCTURED LIQUID PHASE THE PROCTER & GAMBLE COMPANY (US) 1998-01-08 WO disclosed
WO-1998000507-A2 NONAQUEOUS DETERGENT COMPOSITIONS CONTAINING BLEACH PRECURSORS THE PROCTER & GAMBLE COMPANY (US) 1998-01-08 WO disclosed
WO-1998000504-A1 BLEACH PRECURSOR COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-01-08 WO disclosed
WO-1998000508-A2 NONAQUEOUS DETERGENT COMPOSITIONS CONTAINING SPECIFIC ALKYL BENZENE SULFONATE SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1998-01-08 WO disclosed
WO-1998000515-A1 COATED PARTICLE-CONTAINING, NON-AQUEOUS LIQUID CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-01-08 WO disclosed