SCHEMBL3052895

SCHEMBL3052895

CCCCCCCCCCC(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
SCHEMBL27508982 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073331-A1 HARD SURFACE CLEANING COMPOSITIONS COMPRISING RHAMNOLIPIDS AND SULFONATED ALKYL ESTERS CO-SURFACTANT STEPAN COMPANY (US) 2024-04-04 WO disclosed
WO-2024073326-A1 HARD SURFACE CLEANING COMPOSITIONS COMPRISING RHAMNOLIPIDS AND ALKYL SULFATE CO-SURFACTANT STEPAN COMPANY (US) 2024-04-04 WO disclosed
WO-2024073333-A1 HARD SURFACE CLEANING COMPOSITIONS COMPRISING RHAMNOLIPIDS AND GLUTAMATE CO-SURFACTANT STEPAN COMPANY (US) 2024-04-04 WO disclosed
US-9993415-B2 Hair treatment agent and method for causing modified peptide to penetrate into hair MILBON CO., LTD. (JP) 2018-06-12 US disclosed
CN-108024935-A COMPOSITIONS COMPRISING ZWITTERIONIC ALKYL-ALKANOYLAMIDES and/or ALKYL ALKANOATES 强生消费者公司 2018-05-11 CN disclosed
EP-3166583-B1 COSMETIC USE OF SPICULISPORIC ACID AS A DEODORANT ACTIVE AGENT OREAL (FR) 2018-05-02 EP disclosed
CN-104994833-B Personal care composition comprising anionic surfactant and hydrophobic active agent 陶氏环球技术有限责任公司 2018-01-23 CN disclosed
CN-104411289-B APG base micellar thickener for surfactant system 卢布里佐尔先进材料有限公司 2017-12-26 CN disclosed
EP-3166583-A1 COSMETIC USE OF SPICULISPORIC ACID AS A DEODORANT ACTIVE AGENT L'OREAL (FR) 2017-05-17 EP disclosed
US-20170071843-A1 HAIR TREATMENT AGENT AND METHOD FOR CAUSING MODIFIED PEPTIDE TO PENETRATE INTO HAIR MILBON CO., LTD. 2017-03-16 US disclosed
WO-2016005707-A1 COSMETIC USE OF SPICULISPORIC ACID AS A DEODORANT ACTIVE AGENT L'OREAL (FR) 2016-01-14 WO disclosed
US-20100260691-A1 Aqueous compositions containing a hydrophobic material ISP INVESTMENTS INC. 2010-10-14 US disclosed
WO-2008016837-A2 AQUEOUS COMPOSITIONS CONTAINING A HYDROPHOBIC MATERIAL ISP INVESTMENTS INC. (US) 2008-02-07 WO disclosed
US-5985793-A PLANTS ARE FIRST TREATED WITH AN EXOGENOUS CHEMICAL (E.G., GLYPHOSATE HERBICIDE) AND THEN SEQUENTIALLY TREATED WITH A LIQUID ACCESSION AGENT WHICH PROVIDES IMPROVED BIOLOGICAL (E.G., HERBICIDAL) EFFECTIVENESS MONSANTO COMPANY (US) 1999-11-16 US disclosed
EP-0920251-A2 SEQUENTIAL APPLICATION METHOD FOR TREATING PLANTS WITH EXOGENOUS CHEMICALS MONSANTO COMPANY (US) 1999-06-09 EP disclosed
WO-1998006259-A2 SEQUENTIAL APPLICATION METHOD FOR TREATING PLANTS WITH EXOGENOUS CHEMICALS MONSANTO COMPANY (US) 1998-02-19 WO disclosed