SCHEMBL6578407

SCHEMBL6578407

CCCCCCCCCCCCS(=O)(=O)CCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.62
GPR84 Q9NQS5 7/20 0.58
PPARG P37231 7/20 0.58
PPARD Q03181 7/20 0.58
PPARA Q07869 7/20 0.58
HDAC11 Q96DB2 5/20 0.58
TSHR P16473 4/20 0.58
PTPN1 P18031 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TLR2 O60603 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
FABP4 P15090 2/20 0.58
KMT2A Q03164 2/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
MEN1 O00255 1/20 0.58
ESR1 P03372 1/20 0.58
ALOX15 P16050 1/20 0.58
PDE4A P27815 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL28041111 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL7825280 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL27371330 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL1527397 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL8042587 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL9635411 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL10589927 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL9340883 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
SCHEMBL28041062 1.00 APEX1 (0.62) APEX1GPR84PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL11404988 0.98 APEX1 (0.60) APEX1GPR84PPARGPPARDPPARA

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 12 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
CN-105085636-B Vancomycin derivatives, preparation method thereof and application thereof in antibiosis 中国医学科学院药物研究所 2020-05-01 CN disclosed
CN-105085636-A Vancomycin derivative, preparation method and antibacterial application thereof INST MATERIA MEDICA CAMS 2015-11-25 CN disclosed
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