SCHEMBL6577828

SCHEMBL6577828

CCCCCCCCS(=O)(=O)CCCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
FABP4 P15090 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
KMT2A Q03164 2/20 0.64
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64
ESR1 P03372 1/20 0.64
PDE4A P27815 1/20 0.64
PDE3A Q14432 1/20 0.64

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
SCHEMBL6577850 1.00 GPR84 (0.64) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL4812217 0.96 GPR84 (0.71) GPR84PPARGPPARDPPARAHDAC11
Succinic Acid SCHEMBL1470428 0.94 GPR84 (0.60) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9635411 0.92 APEX1 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL8042587 0.92 APEX1 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL10589927 0.92 APEX1 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9340883 0.92 APEX1 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL6578407 0.92 APEX1 (0.62) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL10581094 0.92 GPR84 (0.64) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL1527397 0.92 APEX1 (0.62) GPR84PPARGPPARDPPARAHDAC11

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
US-20030162671-A1 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. 2003-08-28 US claimed
JP-2001507724-A 2001-06-12 JP claimed
EP-0979266-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS Solutia Inc. (US) 2000-02-16 EP claimed
WO-1998008919-A9 NOVEL WATER SOLUBLE METAL WORKING FLUIDS 1998-05-28 WO claimed
WO-1998008919-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. (US) 1998-03-05 WO claimed
US-6706670-B2 CARBOXYLIC ACIDS AND SALTS AND PHOSPHATES, BORATES, PHOSPHONATES, PHOSPHITES AND HYPOPHOSPHITES SOLUTIA, INC. 2004-03-16 US disclosed
US-20030162671-A1 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. 2003-08-28 US disclosed
EP-0979266-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS Solutia Inc. (US) 2000-02-16 EP disclosed
WO-1998008919-A9 NOVEL WATER SOLUBLE METAL WORKING FLUIDS 1998-05-28 WO disclosed
WO-1998008919-A2 NOVEL WATER SOLUBLE METAL WORKING FLUIDS SOLUTIA INC. (US) 1998-03-05 WO disclosed
EP-0438994-B1 Process for preparing sulfonyl acids MONSANTO CO (US) 1995-04-19 EP disclosed
US-5364959-A Storage stable compounds for detergents as bleaches MONSANTO COMPANY (US) 1994-11-15 US disclosed
EP-0438994-A1 Process for preparing sulfonyl acids Monsanto Company (US) 1991-07-31 EP disclosed
US-5004558-A Bleaching detergent composition; storage stabiklity; less dye damage MONSANTO COMPANY (US) 1991-04-02 US disclosed
US-4966731-A Process for preparing sulfonyl acids MONSANTO COMPANY (US) 1990-10-30 US disclosed