SCHEMBL27508982

SCHEMBL27508982

CCCCCCCCC(C)(C(=O)O)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 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
SCHEMBL3052895 1.00 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL5342660 1.00 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL11660121 1.00 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL27615120 1.00 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
Ammonia Solution, Strong SCHEMBL3691545 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL7199657 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL27688240 0.98 CES2 (0.39) CES2GPR84PPARGPPARDPPARA
SCHEMBL27516115 0.83 SMPD1 (0.43) CES2GPR84PPARGPPARDPPARA
Lithium Ion SCHEMBL1484424 0.81 CES2 (0.38) CES2GGPS1
SCHEMBL29269955 0.81 MMP1 (0.49) CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228803-A Novel water soluble metal working fluids MONSANTO CO (US) 1999-09-15 CN claimed
CN-1033755-C Process for decolorizing of resinous polymers of vinylaromatic-conjugated diene type LABOFINA SA (BE) 1997-01-08 CN claimed
CN-1032798-A The decoloring method of vinyl-arene-conjugated diene acrylic resin polymer LABOFINA SA (BE) 1989-05-10 CN claimed
CN-101679711-A Acrylic rubber composition, vulcanized rubber therefrom and use thereof DENKI KAGAKU KOGYO KK 2010-03-24 CN disclosed
CN-100365083-C Hardening resin composition and protective film SUMITOMO CHEMICAL CO (JP) 2008-01-30 CN disclosed
CN-1576343-A Adhesive film SUMITOMO CHEMICAL CO (JP) 2005-02-09 CN disclosed
CN-1490368-A Hardening resin composition and protective film 住友化学工业株式会社 2004-04-21 CN disclosed
CN-1062576-C polypropylene composition and uses thereof MITSUT PETROCHEMICAL IND LTD (JP) 2001-02-28 CN disclosed
CN-1228803-A Novel water soluble metal working fluids MONSANTO CO (US) 1999-09-15 CN disclosed
CN-1213391-A Thermoplastic resin composition and film made from the composition MITSUI CHEMICALS INC (JP) 1999-04-07 CN disclosed
CN-1033755-C Process for decolorizing of resinous polymers of vinylaromatic-conjugated diene type LABOFINA SA (BE) 1997-01-08 CN disclosed
CN-1139130-A Polypropylene composition and uses thereof MITSUT PETROCHEMICAL IND LTD (JP) 1997-01-01 CN disclosed
CN-1032798-A The decoloring method of vinyl-arene-conjugated diene acrylic resin polymer LABOFINA SA (BE) 1989-05-10 CN disclosed